PC-Compounds ::= { { id { id cid 16197307 }, atoms { aid { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448, 449, 450, 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, 461, 462, 463 }, element { s, s, s, s, s, s, s, s, s, s, s, s, s, s, p, p, p, p, p, p, p, p, p, p, p, p, p, p, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, o, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, n, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, c, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h } }, bonds { aid1 { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 15, 15, 16, 16, 16, 17, 17, 17, 18, 18, 18, 19, 19, 19, 20, 20, 20, 21, 21, 21, 22, 22, 22, 23, 23, 23, 24, 24, 24, 25, 25, 25, 26, 26, 26, 27, 27, 27, 28, 28, 28, 29, 29, 30, 30, 31, 31, 32, 32, 33, 33, 34, 34, 35, 35, 36, 36, 37, 37, 38, 38, 39, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 49, 50, 51, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 68, 69, 70, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 96, 97, 98, 99, 100, 101, 102, 103, 103, 103, 104, 104, 104, 105, 105, 105, 106, 106, 106, 107, 107, 107, 108, 108, 108, 109, 109, 109, 110, 110, 110, 111, 111, 111, 112, 112, 112, 113, 113, 113, 114, 114, 114, 115, 115, 115, 116, 116, 116, 117, 117, 118, 118, 119, 119, 120, 120, 121, 121, 122, 122, 123, 123, 124, 124, 124, 125, 125, 126, 126, 127, 127, 128, 128, 129, 129, 130, 130, 131, 131, 131, 132, 132, 132, 133, 133, 133, 134, 134, 134, 135, 135, 135, 136, 136, 136, 137, 137, 137, 138, 138, 138, 139, 139, 139, 140, 140, 140, 141, 141, 141, 142, 142, 143, 143, 143, 144, 144, 144, 145, 145, 146, 146, 146, 147, 147, 147, 148, 148, 148, 149, 149, 149, 150, 150, 150, 151, 151, 151, 152, 152, 152, 153, 153, 153, 154, 154, 154, 155, 155, 155, 156, 156, 156, 157, 157, 158, 158, 159, 159, 160, 160, 161, 161, 162, 162, 163, 163, 164, 164, 165, 165, 166, 166, 166, 167, 167, 167, 168, 168, 168, 169, 169, 169, 170, 170, 170, 171, 171, 171, 172, 172, 172, 173, 173, 173, 174, 174, 174, 175, 175, 176, 176, 176, 177, 177, 177, 178, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 187, 187, 188, 189, 189, 189, 190, 191, 192, 192, 192, 193, 193, 194, 194, 194, 195, 195, 195, 196, 196, 197, 197, 198, 198, 199, 199, 200, 200, 201, 201, 202, 202, 203, 203, 204, 205, 205, 206, 206, 207, 207, 207, 208, 208, 209, 209, 210, 211, 211, 212, 212, 213, 213, 213, 214, 214, 215, 215, 215, 216, 217, 217, 217, 218, 218, 219, 219, 220, 220, 221, 221, 222, 222, 223, 223, 224, 224, 225, 225, 226, 226, 229, 229, 237, 237, 238, 238, 239, 239, 239, 242, 243, 243, 244, 244, 245, 245, 247, 247, 249, 249, 250, 250, 251, 251, 252, 252, 253, 253, 254, 254, 255, 255, 256, 256, 257, 257, 258, 258, 259, 259, 269, 269, 272, 272, 273, 273, 277, 277, 279, 279, 281, 281 }, aid2 { 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 40, 55, 71, 41, 54, 72, 42, 57, 73, 43, 56, 74, 44, 59, 75, 45, 58, 76, 46, 61, 77, 47, 60, 78, 48, 63, 79, 50, 62, 80, 52, 66, 82, 53, 64, 83, 65, 81, 85, 67, 69, 86, 157, 179, 158, 180, 159, 181, 160, 182, 161, 183, 162, 184, 163, 185, 164, 186, 165, 188, 175, 190, 178, 191, 148, 149, 150, 151, 152, 153, 154, 155, 156, 193, 204, 166, 196, 210, 174, 192, 197, 198, 199, 200, 201, 202, 203, 205, 206, 208, 209, 195, 211, 212, 214, 216, 213, 217, 242, 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, 244, 422, 423, 229, 427, 428, 429, 227, 228, 230, 231, 232, 233, 234, 235, 236, 243, 430, 240, 241, 246, 248, 274, 278, 179, 218, 227, 180, 219, 228, 181, 220, 230, 182, 221, 231, 183, 222, 232, 184, 223, 233, 185, 224, 234, 186, 225, 235, 188, 226, 236, 190, 237, 240, 191, 238, 241, 204, 245, 246, 210, 247, 248, 216, 273, 274, 227, 260, 228, 261, 230, 262, 231, 263, 232, 264, 233, 265, 234, 266, 242, 277, 278, 235, 267, 236, 268, 240, 270, 241, 271, 246, 275, 248, 276, 260, 433, 434, 261, 435, 436, 262, 437, 438, 263, 439, 440, 264, 441, 442, 265, 443, 444, 266, 445, 446, 267, 447, 448, 268, 449, 450, 270, 451, 452, 271, 453, 454, 274, 280, 275, 455, 456, 276, 458, 459, 278, 282, 280, 460, 461, 282, 462, 463, 157, 167, 283, 158, 168, 284, 159, 169, 285, 160, 170, 286, 161, 171, 287, 162, 172, 288, 163, 173, 289, 164, 176, 290, 165, 177, 291, 197, 292, 199, 293, 198, 294, 201, 295, 200, 296, 203, 297, 202, 298, 206, 299, 205, 300, 175, 187, 301, 179, 302, 303, 180, 304, 305, 181, 306, 307, 182, 308, 309, 183, 310, 311, 184, 312, 313, 185, 314, 315, 178, 189, 316, 209, 317, 186, 318, 319, 188, 320, 321, 208, 322, 323, 324, 325, 326, 327, 328, 329, 330, 190, 331, 332, 333, 191, 334, 335, 336, 337, 193, 194, 338, 212, 339, 204, 340, 341, 196, 207, 342, 211, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 210, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 214, 215, 374, 243, 375, 216, 376, 377, 378, 229, 244, 379, 249, 380, 250, 381, 251, 382, 252, 383, 253, 384, 254, 385, 255, 386, 256, 387, 257, 388, 239, 389, 258, 390, 259, 391, 242, 392, 393, 394, 395, 396, 397, 398, 269, 399, 272, 400, 260, 411, 261, 412, 262, 413, 263, 414, 264, 415, 265, 416, 266, 417, 267, 418, 268, 419, 270, 420, 271, 421, 275, 424, 276, 425, 279, 426, 281, 431, 280, 432, 282, 457 }, order { double, double, double, double, double, double, double, double, double, double, double, double, double, double, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, double, double, double, double, double, double, double, double, double, single, single, double, double, double, double, double, double, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, double, single, double, single, double, single, double, single, double, single, double, single, double, single, single, single, single, double, single, double, single, double, single, double, single, double, single, double, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, double, single, single, single, single, single, single, single, double, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, double, single, double, single, double, single, double, single, double, single, double, single, double, single, double, single, double, single, single, single, double, single, double, single, single, single, single, single, single, single, single, single, double, single, double, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, double, single, double, single, single, single, single, single } }, stereo { tetrahedral { center 148, above 40, top 157, bottom 167, below 283, parity any, type tetrahedral }, tetrahedral { center 149, above 41, top 158, bottom 168, below 284, parity any, type tetrahedral }, tetrahedral { center 150, above 42, top 159, bottom 169, below 285, parity any, type tetrahedral }, tetrahedral { center 151, above 43, top 160, bottom 170, below 286, parity any, type tetrahedral }, tetrahedral { center 152, above 44, top 161, bottom 171, below 287, parity any, type tetrahedral }, tetrahedral { center 153, above 45, top 162, bottom 172, below 288, parity any, type tetrahedral }, tetrahedral { center 154, above 46, top 163, bottom 173, below 289, parity any, type tetrahedral }, tetrahedral { center 155, above 47, top 164, bottom 176, below 290, parity any, type tetrahedral }, tetrahedral { center 156, above 48, top 165, bottom 177, below 291, parity any, type tetrahedral }, tetrahedral { center 157, above 29, top 148, bottom 197, below 292, parity any, type tetrahedral }, tetrahedral { center 158, above 30, top 149, bottom 199, below 293, parity any, type tetrahedral }, tetrahedral { center 159, above 31, top 150, bottom 198, below 294, parity any, type tetrahedral }, tetrahedral { center 160, above 32, top 151, bottom 201, below 295, parity any, type tetrahedral }, tetrahedral { center 161, above 33, top 152, bottom 200, below 296, parity any, type tetrahedral }, tetrahedral { center 162, above 34, top 153, bottom 203, below 297, parity any, type tetrahedral }, tetrahedral { center 163, above 35, top 154, bottom 202, below 298, parity any, type tetrahedral }, tetrahedral { center 164, above 36, top 155, bottom 206, below 299, parity any, type tetrahedral }, tetrahedral { center 165, above 37, top 156, bottom 205, below 300, parity any, type tetrahedral }, tetrahedral { center 166, above 50, top 175, bottom 187, below 301, parity any, type tetrahedral }, tetrahedral { center 174, above 52, top 178, bottom 189, below 316, parity any, type tetrahedral }, tetrahedral { center 175, above 38, top 166, bottom 209, below 317, parity any, type tetrahedral }, tetrahedral { center 178, above 39, top 174, bottom 208, below 322, parity any, type tetrahedral }, tetrahedral { center 179, above 29, top 103, bottom 167, below 323, parity any, type tetrahedral }, tetrahedral { center 180, above 30, top 104, bottom 168, below 324, parity any, type tetrahedral }, tetrahedral { center 181, above 31, top 105, bottom 169, below 325, parity any, type tetrahedral }, tetrahedral { center 182, above 32, top 106, bottom 170, below 326, parity any, type tetrahedral }, tetrahedral { center 183, above 33, top 107, bottom 171, below 327, parity any, type tetrahedral }, tetrahedral { center 184, above 34, top 108, bottom 172, below 328, parity any, type tetrahedral }, tetrahedral { center 185, above 35, top 109, bottom 173, below 329, parity any, type tetrahedral }, tetrahedral { center 186, above 36, top 110, bottom 176, below 330, parity any, type tetrahedral }, tetrahedral { center 188, above 37, top 111, bottom 177, below 333, parity any, type tetrahedral }, tetrahedral { center 190, above 38, top 112, bottom 187, below 336, parity any, type tetrahedral }, tetrahedral { center 191, above 39, top 113, bottom 189, below 337, parity any, type tetrahedral }, tetrahedral { center 192, above 53, top 193, bottom 194, below 338, parity any, type tetrahedral }, tetrahedral { center 193, above 49, top 192, bottom 212, below 339, parity any, type tetrahedral }, tetrahedral { center 195, above 65, top 196, bottom 207, below 342, parity any, type tetrahedral }, tetrahedral { center 196, above 51, top 195, bottom 211, below 343, parity any, type tetrahedral }, tetrahedral { center 204, above 49, top 114, bottom 194, below 358, parity any, type tetrahedral }, tetrahedral { center 210, above 51, top 115, bottom 207, below 369, parity any, type tetrahedral }, tetrahedral { center 213, above 69, top 214, bottom 215, below 374, parity any, type tetrahedral }, tetrahedral { center 214, above 68, top 213, bottom 243, below 375, parity any, type tetrahedral }, tetrahedral { center 216, above 68, top 116, bottom 215, below 378, parity any, type tetrahedral }, tetrahedral { center 217, above 70, top 229, bottom 244, below 379, parity any, type tetrahedral }, tetrahedral { center 229, above 84, top 217, bottom 239, below 389, parity any, type tetrahedral }, tetrahedral { center 242, above 70, top 124, bottom 239, below 394, parity any, type tetrahedral } }, coords { { type { twod, computed, units-unknown }, aid { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448, 449, 450, 451, 452, 453, 454, 455, 456, 457, 458, 459, 460, 461, 462, 463 }, conformers { { x { { 77912, 10, -4 }, { 84299, 10, -4 }, { 114913, 10, -4 }, { 129848, 10, -4 }, { 134683, 10, -4 }, { 168236, 10, -4 }, { 97682, 10, -4 }, { 185757, 10, -4 }, { 77912, 10, -4 }, { 219969, 10, -4 }, { 114913, 10, -4 }, { 273464, 10, -4 }, { 170817, 10, -4 }, { 296572, 10, -4 }, { 87912, 10, -4 }, { 9099, 10, -3 }, { 121605, 10, -4 }, { 128802, 10, -4 }, { 124683, 10, -4 }, { 176326, 10, -4 }, { 9099, 10, -3 }, { 194893, 10, -4 }, { 87912, 10, -4 }, { 229914, 10, -4 }, { 121605, 10, -4 }, { 266032, 10, -4 }, { 169772, 10, -4 }, { 296572, 10, -4 }, { 68425, 10, -4 }, { 98034, 10, -4 }, { 88482, 10, -4 }, { 157716, 10, -4 }, { 14417, 10, -3 }, { 206931, 10, -4 }, { 124113, 10, -4 }, { 211654, 10, -4 }, { 68425, 10, -4 }, { 252347, 10, -4 }, { 88482, 10, -4 }, { 87912, 10, -4 }, { 98422, 10, -4 }, { 114173, 10, -4 }, { 138748, 10, -4 }, { 124683, 10, -4 }, { 182204, 10, -4 }, { 98422, 10, -4 }, { 204028, 10, -4 }, { 87912, 10, -4 }, { 296518, 10, -4 }, { 228869, 10, -4 }, { 144933, 10, -4 }, { 114173, 10, -4 }, { 272724, 10, -4 }, { 83559, 10, -4 }, { 87912, 10, -4 }, { 118857, 10, -4 }, { 129036, 10, -4 }, { 170448, 10, -4 }, { 124683, 10, -4 }, { 19896, 10, -3 }, { 83559, 10, -4 }, { 230959, 10, -4 }, { 87912, 10, -4 }, { 259341, 10, -4 }, { 159827, 10, -4 }, { 129036, 10, -4 }, { 286572, 10, -4 }, { 323597, 10, -4 }, { 306572, 10, -4 }, { 200421, 10, -4 }, { 97912, 10, -4 }, { 97682, 10, -4 }, { 128296, 10, -4 }, { 127757, 10, -4 }, { 114683, 10, -4 }, { 184416, 10, -4 }, { 84299, 10, -4 }, { 190825, 10, -4 }, { 97912, 10, -4 }, { 239859, 10, -4 }, { 179717, 10, -4 }, { 128296, 10, -4 }, { 258601, 10, -4 }, { 194663, 10, -4 }, { 168727, 10, -4 }, { 296572, 10, -4 }, { 51669, 10, -4 }, { 92411, 10, -4 }, { 71682, 10, -4 }, { 166946, 10, -4 }, { 160926, 10, -4 }, { 207976, 10, -4 }, { 140913, 10, -4 }, { 181709, 10, -4 }, { 5529, 10, -3 }, { 33799, 10, -3 }, { 233087, 10, -4 }, { 99707, 10, -4 }, { 300687, 10, -4 }, { 173089, 10, -4 }, { 331117, 10, -4 }, { 209557, 10, -4 }, { 5348, 10, -3 }, { 80821, 10, -4 }, { 85695, 10, -4 }, { 149625, 10, -4 }, { 159115, 10, -4 }, { 216636, 10, -4 }, { 1269, 10, -2 }, { 196709, 10, -4 }, { 5348, 10, -3 }, { 249559, 10, -4 }, { 85695, 10, -4 }, { 307732, 10, -4 }, { 156147, 10, -4 }, { 313891, 10, -4 }, { 37657, 10, -4 }, { 75469, 10, -4 }, { 69872, 10, -4 }, { 158286, 10, -4 }, { 174938, 10, -4 }, { 225297, 10, -4 }, { 142724, 10, -4 }, { 218217, 10, -4 }, { 181709, 10, -4 }, { 39467, 10, -4 }, { 245958, 10, -4 }, { 83884, 10, -4 }, { 317913, 10, -4 }, { 167737, 10, -4 }, { 23644, 10, -4 }, { 58527, 10, -4 }, { 68061, 10, -4 }, { 149625, 10, -4 }, { 188951, 10, -4 }, { 242617, 10, -4 }, { 144534, 10, -4 }, { 181709, 10, -4 }, { 23644, 10, -4 }, { 25883, 10, -3 }, { 68061, 10, -4 }, { 320936, 10, -4 }, { 335139, 10, -4 }, { 162385, 10, -4 }, { 226877, 10, -4 }, { 310755, 10, -4 }, { 244198, 10, -4 }, { 79252, 10, -4 }, { 96343, 10, -4 }, { 104663, 10, -4 }, { 144625, 10, -4 }, { 133343, 10, -4 }, { 192149, 10, -4 }, { 107932, 10, -4 }, { 205073, 10, -4 }, { 79252, 10, -4 }, { 78207, 10, -4 }, { 103034, 10, -4 }, { 96572, 10, -4 }, { 154625, 10, -4 }, { 134388, 10, -4 }, { 197149, 10, -4 }, { 116023, 10, -4 }, { 213734, 10, -4 }, { 78207, 10, -4 }, { 236959, 10, -4 }, { 70116, 10, -4 }, { 87207, 10, -4 }, { 101572, 10, -4 }, { 141535, 10, -4 }, { 142479, 10, -4 }, { 198841, 10, -4 }, { 111023, 10, -4 }, { 104663, 10, -4 }, { 246469, 10, -4 }, { 197642, 10, -4 }, { 70116, 10, -4 }, { 96572, 10, -4 }, { 63425, 10, -4 }, { 88253, 10, -4 }, { 91572, 10, -4 }, { 149625, 10, -4 }, { 14917, 10, -3 }, { 207976, 10, -4 }, { 121023, 10, -4 }, { 201709, 10, -4 }, { 236959, 10, -4 }, { 63425, 10, -4 }, { 101572, 10, -4 }, { 246469, 10, -4 }, { 91572, 10, -4 }, { 282505, 10, -4 }, { 286572, 10, -4 }, { 289936, 10, -4 }, { 15576, 10, -3 }, { 145978, 10, -4 }, { 85638, 10, -4 }, { 96572, 10, -4 }, { 112979, 10, -4 }, { 126957, 10, -4 }, { 160503, 10, -4 }, { 116023, 10, -4 }, { 193082, 10, -4 }, { 298597, 10, -4 }, { 85638, 10, -4 }, { 222869, 10, -4 }, { 16076, 10, -3 }, { 96572, 10, -4 }, { 249559, 10, -4 }, { 154068, 10, -4 }, { 138547, 10, -4 }, { 281572, 10, -4 }, { 311572, 10, -4 }, { 321518, 10, -4 }, { 307505, 10, -4 }, { 314936, 10, -4 }, { 19373, 10, -3 }, { 49413, 10, -4 }, { 7131, 10, -3 }, { 89762, 10, -4 }, { 140965, 10, -4 }, { 163182, 10, -4 }, { 225297, 10, -4 }, { 122833, 10, -4 }, { 201709, 10, -4 }, { 47602, 10, -4 }, { 47602, 10, -4 }, { 829, 10, -2 }, { 19873, 10, -3 }, { 75749, 10, -4 }, { 158286, 10, -4 }, { 164993, 10, -4 }, { 216636, 10, -4 }, { 136846, 10, -4 }, { 186709, 10, -4 }, { 49413, 10, -4 }, { 259341, 10, -4 }, { 75749, 10, -4 }, { 208511, 10, -4 }, { 242868, 10, -4 }, { 89762, 10, -4 }, { 209557, 10, -4 }, { 328209, 10, -4 }, { 183785, 10, -4 }, { 315822, 10, -4 }, { 308777, 10, -4 }, { 148716, 10, -4 }, { 165658, 10, -4 }, { 39467, 10, -4 }, { 63879, 10, -4 }, { 83884, 10, -4 }, { 140965, 10, -4 }, { 173128, 10, -4 }, { 233957, 10, -4 }, { 128711, 10, -4 }, { 196709, 10, -4 }, { 37657, 10, -4 }, { 262431, 10, -4 }, { 69872, 10, -4 }, { 3359, 10, -3 }, { 65958, 10, -4 }, { 73939, 10, -4 }, { 149625, 10, -4 }, { 179006, 10, -4 }, { 233957, 10, -4 }, { 138656, 10, -4 }, { 186709, 10, -4 }, { 3359, 10, -3 }, { 324958, 10, -4 }, { 25574, 10, -3 }, { 73939, 10, -4 }, { 150795, 10, -4 }, { 304756, 10, -4 }, { 321981, 10, -4 }, { 326003, 10, -4 }, { 160306, 10, -4 }, { 226877, 10, -4 }, { 218217, 10, -4 }, { 30371, 10, -3 }, { 311801, 10, -4 }, { 235537, 10, -4 }, { 235537, 10, -4 }, { 78927, 10, -4 }, { 102331, 10, -4 }, { 109047, 10, -4 }, { 138502, 10, -4 }, { 133668, 10, -4 }, { 188773, 10, -4 }, { 103548, 10, -4 }, { 210273, 10, -4 }, { 78927, 10, -4 }, { 76602, 10, -4 }, { 106411, 10, -4 }, { 91048, 10, -4 }, { 160749, 10, -4 }, { 135993, 10, -4 }, { 201051, 10, -4 }, { 121547, 10, -4 }, { 218552, 10, -4 }, { 76602, 10, -4 }, { 231434, 10, -4 }, { 651, 10, -2 }, { 73216, 10, -4 }, { 81143, 10, -4 }, { 85291, 10, -4 }, { 100924, 10, -4 }, { 107637, 10, -4 }, { 138435, 10, -4 }, { 135871, 10, -4 }, { 139379, 10, -4 }, { 147494, 10, -4 }, { 193825, 10, -4 }, { 201941, 10, -4 }, { 104958, 10, -4 }, { 111671, 10, -4 }, { 109047, 10, -4 }, { 252593, 10, -4 }, { 192272, 10, -4 }, { 193998, 10, -4 }, { 651, 10, -2 }, { 73216, 10, -4 }, { 91048, 10, -4 }, { 61203, 10, -4 }, { 89857, 10, -4 }, { 85449, 10, -4 }, { 144101, 10, -4 }, { 152547, 10, -4 }, { 207652, 10, -4 }, { 127146, 10, -4 }, { 205086, 10, -4 }, { 23567, 10, -3 }, { 230793, 10, -4 }, { 60048, 10, -4 }, { 100924, 10, -4 }, { 107637, 10, -4 }, { 252593, 10, -4 }, { 85449, 10, -4 }, { 2809, 10, -2 }, { 289949, 10, -4 }, { 293581, 10, -4 }, { 285329, 10, -4 }, { 161951, 10, -4 }, { 14019, 10, -3 }, { 88924, 10, -4 }, { 91387, 10, -4 }, { 102678, 10, -4 }, { 98693, 10, -4 }, { 11127, 10, -3 }, { 118552, 10, -4 }, { 121208, 10, -4 }, { 123671, 10, -4 }, { 154931, 10, -4 }, { 162212, 10, -4 }, { 113902, 10, -4 }, { 109917, 10, -4 }, { 188775, 10, -4 }, { 187942, 10, -4 }, { 298921, 10, -4 }, { 88924, 10, -4 }, { 91387, 10, -4 }, { 219402, 10, -4 }, { 227329, 10, -4 }, { 164908, 10, -4 }, { 165775, 10, -4 }, { 102678, 10, -4 }, { 98693, 10, -4 }, { 24342, 10, -3 }, { 249343, 10, -4 }, { 160057, 10, -4 }, { 143432, 10, -4 }, { 135636, 10, -4 }, { 276823, 10, -4 }, { 276823, 10, -4 }, { 305381, 10, -4 }, { 327506, 10, -4 }, { 302136, 10, -4 }, { 303861, 10, -4 }, { 320136, 10, -4 }, { 191508, 10, -4 }, { 53057, 10, -4 }, { 70022, 10, -4 }, { 95928, 10, -4 }, { 135596, 10, -4 }, { 159538, 10, -4 }, { 225297, 10, -4 }, { 116667, 10, -4 }, { 207909, 10, -4 }, { 50124, 10, -4 }, { 192538, 10, -4 }, { 26349, 10, -3 }, { 73228, 10, -4 }, { 214711, 10, -4 }, { 209159, 10, -4 }, { 214756, 10, -4 }, { 330532, 10, -4 }, { 322951, 10, -4 }, { 184217, 10, -4 }, { 177769, 10, -4 }, { 315174, 10, -4 }, { 142819, 10, -4 }, { 101012, 10, -4 }, { 103746, 10, -4 }, { 12638, 10, -3 }, { 132773, 10, -4 }, { 111583, 10, -4 }, { 183768, 10, -4 }, { 78235, 10, -4 }, { 184659, 10, -4 }, { 101012, 10, -4 }, { 243503, 10, -4 }, { 36946, 10, -4 }, { 57982, 10, -4 }, { 86406, 10, -4 }, { 135596, 10, -4 }, { 175649, 10, -4 }, { 239326, 10, -4 }, { 126189, 10, -4 }, { 199809, 10, -4 }, { 34013, 10, -4 }, { 268496, 10, -4 }, { 63706, 10, -4 }, { 13436, 10, -3 }, { 25989, 10, -3 }, { 329974, 10, -4 }, { 146188, 10, -4 }, { 29974, 10, -3 }, { 198307, 10, -4 }, { 163063, 10, -4 }, { 291203, 10, -4 }, { 342139, 10, -4 }, { 226877, 10, -4 }, { 298046, 10, -4 }, { 21122, 10, -4 }, { 2, 10, 0 }, { 5263, 10, -3 }, { 59816, 10, -4 }, { 70583, 10, -4 }, { 61895, 10, -4 }, { 144256, 10, -4 }, { 154995, 10, -4 }, { 191472, 10, -4 }, { 192595, 10, -4 }, { 247987, 10, -4 }, { 242617, 10, -4 }, { 142012, 10, -4 }, { 1507, 10, -2 }, { 184809, 10, -4 }, { 175509, 10, -4 }, { 21122, 10, -4 }, { 2, 10, 0 }, { 264894, 10, -4 }, { 254681, 10, -4 }, { 70583, 10, -4 }, { 61895, 10, -4 }, { 335787, 10, -4 }, { 340154, 10, -4 }, { 240907, 10, -4 }, { 168281, 10, -4 }, { 157777, 10, -4 }, { 315771, 10, -4 }, { 305091, 10, -4 }, { 249567, 10, -4 }, { 244198, 10, -4 } }, y { { 33502, 10, -4 }, { 89043, 10, -4 }, { -8408, 10, -4 }, { 121461, 10, -4 }, { -49086, 10, -4 }, { 97547, 10, -4 }, { -90996, 10, -4 }, { 127334, 10, -4 }, { -131674, 10, -4 }, { 161125, 10, -4 }, { -173585, 10, -4 }, { 164053, 10, -4 }, { -174131, 10, -4 }, { 159641, 10, -4 }, { 33502, 10, -4 }, { 81611, 10, -4 }, { -977, 10, -4 }, { 111515, 10, -4 }, { -49086, 10, -4 }, { 103425, 10, -4 }, { -83565, 10, -4 }, { 131402, 10, -4 }, { -131674, 10, -4 }, { 16217, 10, -3 }, { -166153, 10, -4 }, { 170745, 10, -4 }, { -164186, 10, -4 }, { 149641, 10, -4 }, { 60526, 10, -4 }, { 114176, 10, -4 }, { 2624, 10, -4 }, { 128071, 10, -4 }, { -22062, 10, -4 }, { 102961, 10, -4 }, { -79964, 10, -4 }, { 160196, 10, -4 }, { -10465, 10, -3 }, { 182993, 10, -4 }, { -162552, 10, -4 }, { 43502, 10, -4 }, { 88303, 10, -4 }, { 5715, 10, -4 }, { 11047, 10, -3 }, { -39086, 10, -4 }, { 95335, 10, -4 }, { -76874, 10, -4 }, { 135469, 10, -4 }, { -121674, 10, -4 }, { 168007, 10, -4 }, { 172115, 10, -4 }, { -186391, 10, -4 }, { -159462, 10, -4 }, { 178176, 10, -4 }, { 7492, 10, -3 }, { 23502, 10, -4 }, { 112561, 10, -4 }, { -7668, 10, -4 }, { 111515, 10, -4 }, { -59086, 10, -4 }, { 122266, 10, -4 }, { -90256, 10, -4 }, { 152225, 10, -4 }, { -141674, 10, -4 }, { 163313, 10, -4 }, { -165231, 10, -4 }, { -172845, 10, -4 }, { 149641, 10, -4 }, { 130154, 10, -4 }, { 149641, 10, -4 }, { -160391, 10, -4 }, { 33502, 10, -4 }, { 7418, 10, -3 }, { 6455, 10, -4 }, { 10157, 10, -3 }, { -49086, 10, -4 }, { 109303, 10, -4 }, { -76134, 10, -4 }, { 140537, 10, -4 }, { -131674, 10, -4 }, { 163215, 10, -4 }, { -163141, 10, -4 }, { -158722, 10, -4 }, { 177436, 10, -4 }, { -135164, 10, -4 }, { -154241, 10, -4 }, { 139641, 10, -4 }, { 68047, 10, -4 }, { 13166, 10, -3 }, { -4796, 10, -4 }, { 143949, 10, -4 }, { -14542, 10, -4 }, { 73016, 10, -4 }, { -87384, 10, -4 }, { 161241, 10, -4 }, { -131581, 10, -4 }, { 145288, 10, -4 }, { 205946, 10, -4 }, { -190334, 10, -4 }, { 197679, 10, -4 }, { -196639, 10, -4 }, { 113398, 10, -4 }, { -176324, 10, -4 }, { 50821, 10, -4 }, { 118788, 10, -4 }, { -14976, 10, -4 }, { 143949, 10, -4 }, { -31767, 10, -4 }, { 88016, 10, -4 }, { -97565, 10, -4 }, { 169901, 10, -4 }, { -114356, 10, -4 }, { 200594, 10, -4 }, { -180153, 10, -4 }, { 181856, 10, -4 }, { -20024, 10, -3 }, { 115209, 10, -4 }, { 57866, 10, -4 }, { 135261, 10, -4 }, { -22021, 10, -4 }, { 158949, 10, -4 }, { -24722, 10, -4 }, { 73016, 10, -4 }, { -10461, 10, -3 }, { -161324, 10, -4 }, { 178561, 10, -4 }, { -124536, 10, -4 }, { 217536, 10, -4 }, { -197379, 10, -4 }, { 195868, 10, -4 }, { -213112, 10, -4 }, { 47685, 10, -4 }, { 138862, 10, -4 }, { -39247, 10, -4 }, { 173949, 10, -4 }, { -34903, 10, -4 }, { 73016, 10, -4 }, { -121835, 10, -4 }, { 195882, 10, -4 }, { -117491, 10, -4 }, { 229125, 10, -4 }, { -204423, 10, -4 }, { 99386, 10, -4 }, { 194058, 10, -4 }, { -229584, 10, -4 }, { -176324, 10, -4 }, { 85373, 10, -4 }, { -176324, 10, -4 }, { 48502, 10, -4 }, { 98084, 10, -4 }, { 2624, 10, -4 }, { 11856, 10, -3 }, { -34086, 10, -4 }, { 9638, 10, -3 }, { -79964, 10, -4 }, { 145414, 10, -4 }, { -116674, 10, -4 }, { 58447, 10, -4 }, { 105516, 10, -4 }, { 8502, 10, -4 }, { 11856, 10, -3 }, { -24141, 10, -4 }, { 105041, 10, -4 }, { -74086, 10, -4 }, { 150414, 10, -4 }, { -106729, 10, -4 }, { 177993, 10, -4 }, { 44435, 10, -4 }, { 102152, 10, -4 }, { -6886, 10, -4 }, { 128071, 10, -4 }, { -38154, 10, -4 }, { 88949, 10, -4 }, { -89474, 10, -4 }, { -162552, 10, -4 }, { 174903, 10, -4 }, { 152106, 10, -4 }, { -120742, 10, -4 }, { -156674, 10, -4 }, { 51866, 10, -4 }, { 112097, 10, -4 }, { -6886, 10, -4 }, { 133949, 10, -4 }, { -30722, 10, -4 }, { 93016, 10, -4 }, { -89474, 10, -4 }, { 161241, 10, -4 }, { 187993, 10, -4 }, { -11331, 10, -3 }, { -172063, 10, -4 }, { 191083, 10, -4 }, { -172063, 10, -4 }, { 176097, 10, -4 }, { 166961, 10, -4 }, { 182788, 10, -4 }, { -174367, 10, -4 }, { -176446, 10, -4 }, { 65139, 10, -4 }, { 18502, 10, -4 }, { 10447, 10, -3 }, { -1745, 10, -3 }, { 11047, 10, -3 }, { -64086, 10, -4 }, { 114176, 10, -4 }, { 177788, 10, -4 }, { -100038, 10, -4 }, { 146347, 10, -4 }, { -183027, 10, -4 }, { -146674, 10, -4 }, { 165392, 10, -4 }, { -190458, 10, -4 }, { -169755, 10, -4 }, { 158301, 10, -4 }, { 140981, 10, -4 }, { 139935, 10, -4 }, { 131845, 10, -4 }, { 125154, 10, -4 }, { -15296, 10, -3 }, { 41686, 10, -4 }, { 115698, 10, -4 }, { -24112, 10, -4 }, { 148949, 10, -4 }, { -40903, 10, -4 }, { 93016, 10, -4 }, { -1067, 10, -2 }, { 178561, 10, -4 }, { -106265, 10, -4 }, { 58911, 10, -4 }, { 12857, 10, -3 }, { -1443, 10, -2 }, { -13931, 10, -4 }, { 148949, 10, -4 }, { -23677, 10, -4 }, { 78016, 10, -4 }, { -96519, 10, -4 }, { 169901, 10, -4 }, { -123491, 10, -4 }, { 202673, 10, -4 }, { -179108, 10, -4 }, { -146379, 10, -4 }, { 208025, 10, -4 }, { -189288, 10, -4 }, { -156324, 10, -4 }, { 147367, 10, -4 }, { -154005, 10, -4 }, { 175978, 10, -4 }, { 191801, 10, -4 }, { -206931, 10, -4 }, { -20333, 10, -3 }, { 4064, 10, -3 }, { 122389, 10, -4 }, { -32202, 10, -4 }, { 158949, 10, -4 }, { -41948, 10, -4 }, { 88016, 10, -4 }, { -11479, 10, -3 }, { 187222, 10, -4 }, { -107311, 10, -4 }, { 212183, 10, -4 }, { -187198, 10, -4 }, { 4873, 10, -3 }, { 132171, 10, -4 }, { -31157, 10, -4 }, { 163949, 10, -4 }, { -33858, 10, -4 }, { 78016, 10, -4 }, { -113745, 10, -4 }, { 187222, 10, -4 }, { -116446, 10, -4 }, { 180045, 10, -4 }, { 219615, 10, -4 }, { -196333, 10, -4 }, { -216713, 10, -4 }, { 111141, 10, -4 }, { 109331, 10, -4 }, { 18999, 10, -3 }, { -219803, 10, -4 }, { -156324, 10, -4 }, { -171324, 10, -4 }, { 101196, 10, -4 }, { 95318, 10, -4 }, { -161324, 10, -4 }, { -171324, 10, -4 }, { 42311, 10, -4 }, { 9648, 10, -3 }, { -176, 10, -3 }, { 11953, 10, -3 }, { -40278, 10, -4 }, { 10158, 10, -3 }, { -84348, 10, -4 }, { 142037, 10, -4 }, { -122866, 10, -4 }, { 64436, 10, -4 }, { 110716, 10, -4 }, { 11317, 10, -4 }, { 11953, 10, -3 }, { -18152, 10, -4 }, { 109859, 10, -4 }, { -71271, 10, -4 }, { 154316, 10, -4 }, { -10074, 10, -3 }, { 180808, 10, -4 }, { 40791, 10, -4 }, { 39066, 10, -4 }, { 103441, 10, -4 }, { 96255, 10, -4 }, { -13052, 10, -4 }, { -8175, 10, -4 }, { 13344, 10, -3 }, { 125549, 10, -4 }, { -43523, 10, -4 }, { -41798, 10, -4 }, { 85305, 10, -4 }, { 8358, 10, -3 }, { -90764, 10, -4 }, { -9564, 10, -3 }, { -166936, 10, -4 }, { 173933, 10, -4 }, { 155206, 10, -4 }, { 14709, 10, -3 }, { -124386, 10, -4 }, { -126111, 10, -4 }, { -15386, 10, -3 }, { 46078, 10, -4 }, { 118086, 10, -4 }, { -5916, 10, -4 }, { 136763, 10, -4 }, { -25522, 10, -4 }, { 86825, 10, -4 }, { -88505, 10, -4 }, { 166441, 10, -4 }, { 194058, 10, -4 }, { 187345, 10, -4 }, { -108111, 10, -4 }, { -178229, 10, -4 }, { -173352, 10, -4 }, { 192053, 10, -4 }, { -171093, 10, -4 }, { 182086, 10, -4 }, { 161762, 10, -4 }, { 187804, 10, -4 }, { 186937, 10, -4 }, { -174042, 10, -4 }, { -178668, 10, -4 }, { 59881, 10, -4 }, { 67461, 10, -4 }, { 17426, 10, -4 }, { 24328, 10, -4 }, { 98511, 10, -4 }, { 101753, 10, -4 }, { -15127, 10, -4 }, { -22708, 10, -4 }, { 107752, 10, -4 }, { 10451, 10, -3 }, { -5826, 10, -3 }, { -65163, 10, -4 }, { 118636, 10, -4 }, { 110709, 10, -4 }, { 18398, 10, -3 }, { -105296, 10, -4 }, { -97715, 10, -4 }, { 141207, 10, -4 }, { 14204, 10, -3 }, { -187634, 10, -4 }, { -179383, 10, -4 }, { -147751, 10, -4 }, { -140848, 10, -4 }, { 164529, 10, -4 }, { 159196, 10, -4 }, { -192063, 10, -4 }, { -165937, 10, -4 }, { -16428, 10, -3 }, { 162286, 10, -4 }, { 154316, 10, -4 }, { 140656, 10, -4 }, { 138331, 10, -4 }, { 134945, 10, -4 }, { 126829, 10, -4 }, { 121777, 10, -4 }, { -158748, 10, -4 }, { 3667, 10, -3 }, { 109634, 10, -4 }, { -2476, 10, -3 }, { 145849, 10, -4 }, { -45919, 10, -4 }, { 99216, 10, -4 }, { -107348, 10, -4 }, { 178561, 10, -4 }, { -100601, 10, -4 }, { -143975, 10, -4 }, { 198065, 10, -4 }, { -173444, 10, -4 }, { -146379, 10, -4 }, { -140213, 10, -4 }, { -152947, 10, -4 }, { 153115, 10, -4 }, { 150652, 10, -4 }, { -14782, 10, -3 }, { -152505, 10, -4 }, { 169812, 10, -4 }, { -205015, 10, -4 }, { 38872, 10, -4 }, { 75469, 10, -4 }, { 12351, 10, -4 }, { 97926, 10, -4 }, { -43717, 10, -4 }, { 115469, 10, -4 }, { -77423, 10, -4 }, { 141185, 10, -4 }, { -137044, 10, -4 }, { 158199, 10, -4 }, { 34976, 10, -4 }, { 120473, 10, -4 }, { -37866, 10, -4 }, { 162049, 10, -4 }, { -47612, 10, -4 }, { 91116, 10, -4 }, { -120454, 10, -4 }, { 192591, 10, -4 }, { -102295, 10, -4 }, { 213472, 10, -4 }, { -18655, 10, -3 }, { -160011, 10, -4 }, { 1835, 10, -2 }, { 176401, 10, -4 }, { -220861, 10, -4 }, { 114786, 10, -4 }, { -130148, 10, -4 }, { -151719, 10, -4 }, { 136541, 10, -4 }, { 149895, 10, -4 }, { -150124, 10, -4 }, { 98674, 10, -4 }, { 42021, 10, -4 }, { 52701, 10, -4 }, { 136946, 10, -4 }, { 144927, 10, -4 }, { -44911, 10, -4 }, { -38599, 10, -4 }, { 177049, 10, -4 }, { 177049, 10, -4 }, { -40567, 10, -4 }, { -29887, 10, -4 }, { 76116, 10, -4 }, { 66816, 10, -4 }, { -127499, 10, -4 }, { -121187, 10, -4 }, { 201251, 10, -4 }, { 195882, 10, -4 }, { -123155, 10, -4 }, { -112476, 10, -4 }, { 230414, 10, -4 }, { 233733, 10, -4 }, { -210087, 10, -4 }, { -203775, 10, -4 }, { 200224, 10, -4 }, { 190413, 10, -4 }, { -158224, 10, -4 }, { -2315, 10, -2 }, { -233733, 10, -4 }, { 81729, 10, -4 }, { 82851, 10, -4 }, { -173224, 10, -4 }, { -182524, 10, -4 } }, style { annotation { aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, wavy, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, wavy, aromatic, aromatic, wavy, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic }, aid1 { 103, 103, 104, 104, 105, 105, 106, 106, 107, 107, 108, 108, 109, 109, 110, 110, 111, 111, 112, 112, 113, 113, 114, 114, 115, 115, 116, 116, 117, 117, 118, 118, 119, 119, 120, 120, 121, 121, 122, 122, 123, 123, 124, 124, 125, 125, 126, 126, 127, 127, 128, 128, 129, 129, 130, 130, 142, 142, 145, 145, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 174, 175, 178, 179, 180, 181, 182, 183, 184, 185, 186, 188, 190, 191, 192, 193, 195, 196, 204, 210, 213, 214, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 229, 237, 238, 242, 245, 247, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 269, 272, 273, 277, 279, 281 }, aid2 { 218, 227, 219, 228, 220, 230, 221, 231, 222, 232, 223, 233, 224, 234, 225, 235, 226, 236, 237, 240, 238, 241, 245, 246, 247, 248, 273, 274, 227, 260, 228, 261, 230, 262, 231, 263, 232, 264, 233, 265, 234, 266, 277, 278, 235, 267, 236, 268, 240, 270, 241, 271, 246, 275, 248, 276, 274, 280, 278, 282, 40, 41, 42, 43, 44, 45, 46, 47, 48, 197, 199, 198, 201, 200, 203, 202, 206, 205, 50, 52, 209, 208, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 53, 212, 65, 211, 114, 115, 69, 243, 116, 244, 249, 250, 251, 252, 253, 254, 255, 256, 257, 84, 258, 259, 124, 269, 272, 260, 261, 262, 263, 264, 265, 266, 267, 268, 270, 271, 275, 276, 279, 281, 280, 282 } } } } } }, charge 0, props { { urn { label "Compound", name "Canonicalized", datatype uint, release "2019.01.04" }, value ival 1 }, { urn { label "Compound Complexity", datatype double, implementation "E_COMPLEXITY", version "3.4.8.18", software "Cactvs", source "Xemistry GmbH", release "2021.05.07" }, value fval { 126, 10, 2 } }, { urn { label "Count", name "Hydrogen Bond Acceptor", datatype uint, implementation "E_NHACCEPTORS", version "3.4.8.18", software "Cactvs", source "Xemistry GmbH", release "2021.05.07" }, value ival 88 }, { urn { label "Count", name "Hydrogen Bond Donor", datatype uint, implementation "E_NHDONORS", version "3.4.8.18", software "Cactvs", source "Xemistry GmbH", release "2021.05.07" }, value ival 31 }, { urn { label "Count", name "Rotatable Bond", datatype uint, implementation "E_NROTBONDS", version "3.4.8.18", software "Cactvs", source "Xemistry GmbH", release "2021.05.07" }, value ival 86 }, { urn { label "Fingerprint", name "SubStructure Keys", datatype fingerprint, parameters "extended 2", implementation "E_SCREEN", version "3.4.8.18", software "Cactvs", source "Xemistry GmbH", release "2021.05.07" }, value binary '00000371F07FFE03F800000000000000000000000001224489122040 81020000000000000000001E00100820000814E18006010003400710A800226674008000010002 000800001800108110020080000E4000071602030000B030020000000000000000000000000000 000000000000000000'H }, { urn { label "IUPAC Name", name "Allowed", datatype string, version "2.7.0", software "Lexichem TK", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "4-amino-1-[5-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4 -amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-a mino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-ami no-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino -2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2 -oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-o xo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo -pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinoth ioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetr ahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]ox y-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphino thioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]te trahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl] oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphi nothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl] tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-y l]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosp hinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethy l]-4-hydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one" }, { urn { label "IUPAC Name", name "CAS-like Style", datatype string, version "2.7.0", software "Lexichem TK", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "4-amino-1-[5-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4- amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amin o-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2- oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo- 1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-py rimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimi dinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidiny l)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolan yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl ]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hy droxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethy l]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphos phinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxol anyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothio yl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy- hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymet hyl]-4-hydroxy-2-oxolanyl]-2-pyrimidinone" }, { urn { label "IUPAC Name", name "Markup", datatype string, version "2.7.0", software "Lexichem TK", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "4-amino-1-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4- amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amin o-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2- oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxop yrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrim idin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin -1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-y l)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3- yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl ]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hy droxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethy l]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphos phinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan- 3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothio yl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy- hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymet hyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one" }, { urn { label "IUPAC Name", name "Preferred", datatype string, version "2.7.0", software "Lexichem TK", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "4-amino-1-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4- amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amin o-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2- oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxop yrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrim idin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin -1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-y l)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3- yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl ]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hy droxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethy l]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphos phinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan- 3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothio yl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy- hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymet hyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one" }, { urn { label "IUPAC Name", name "Systematic", datatype string, version "2.7.0", software "Lexichem TK", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "4-azanyl-1-[5-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-y l)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidany lidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5 -(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-py rimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azany l-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1 -yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxida nylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[ [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene- pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxym ethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxida nyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymeth yl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl -phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl] oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-ph osphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxo lan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosp hinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan -3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]pyrimidin -2-one" }, { urn { label "IUPAC Name", name "Traditional", datatype string, version "2.7.0", software "Lexichem TK", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "4-amino-1-[5-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-( 4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-( 4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-( 4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-( 4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-( 4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-( 4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-( 4-amino-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-thi ophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethy l]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3- yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiop hosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl] tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl ]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiopho sphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]te trahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]o xy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosp horyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-4-h ydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one" }, { urn { label "InChI", name "Standard", datatype string, version "1.0.6", software "InChI", source "iupac.org", release "2021.05.07" }, value sval "InChI=1S/C135H181N45O74P14S14/c136-91-1-16-166(121(183)151 -91)106-31-61(182)77(227-106)47-212-255(198,269)242-63-33-108(168-18-3-93(138) 153-123(168)185)229-79(63)49-214-257(200,271)244-65-35-110(170-20-5-95(140)155 -125(170)187)231-81(65)51-216-259(202,273)246-67-37-112(172-22-7-97(142)157-12 7(172)189)233-83(67)53-218-261(204,275)248-69-39-114(174-24-9-99(144)159-129(1 74)191)235-85(69)55-220-263(206,277)250-71-41-116(176-26-11-101(146)161-131(17 6)193)237-87(71)57-222-265(208,279)252-73-43-118(178-28-13-103(148)163-133(178 )195)239-89(73)59-224-267(210,281)254-75-45-120(180-30-15-105(150)165-135(180) 197)240-90(75)60-225-268(211,282)253-74-44-119(179-29-14-104(149)164-134(179)1 96)238-88(74)58-223-266(209,280)251-72-42-117(177-27-12-102(147)162-132(177)19 4)236-86(72)56-221-264(207,278)249-70-40-115(175-25-10-100(145)160-130(175)192 )234-84(70)54-219-262(205,276)247-68-38-113(173-23-8-98(143)158-128(173)190)23 2-82(68)52-217-260(203,274)245-66-36-111(171-21-6-96(141)156-126(171)188)230-8 0(66)50-215-258(201,272)243-64-34-109(169-19-4-94(139)154-124(169)186)228-78(6 4)48-213-256(199,270)241-62-32-107(226-76(62)46-181)167-17-2-92(137)152-122(16 7)184/h1-30,61-90,106-120,181-182H,31-60H2,(H,198,269)(H,199,270)(H,200,271)(H ,201,272)(H,202,273)(H,203,274)(H,204,275)(H,205,276)(H,206,277)(H,207,278)(H, 208,279)(H,209,280)(H,210,281)(H,211,282)(H2,136,151,183)(H2,137,152,184)(H2,1 38,153,185)(H2,139,154,186)(H2,140,155,187)(H2,141,156,188)(H2,142,157,189)(H2 ,143,158,190)(H2,144,159,191)(H2,145,160,192)(H2,146,161,193)(H2,147,162,194)( H2,148,163,195)(H2,149,164,196)(H2,150,165,197)" }, { urn { label "InChIKey", name "Standard", datatype string, version "1.0.6", software "InChI", source "iupac.org", release "2021.05.07" }, value sval "FOWIZQXWEYJCQR-UHFFFAOYSA-N" }, { urn { label "Log P", name "XLogP3-AA", datatype double, version "3.0", source "sioc-ccbg.ac.cn", release "2021.05.07" }, value fval { -103, 10, -1 } }, { urn { label "Mass", name "Exact", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "4498.4233620" }, { urn { label "Molecular Formula", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "C135H181N45O74P14S14" }, { urn { label "Molecular Weight", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "4501" }, { urn { label "SMILES", name "Canonical", datatype string, version "2.3.0", software "OEChem", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4C C(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC( OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC 1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1C O)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1= O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC 1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O" }, { urn { label "SMILES", name "Isomeric", datatype string, version "2.3.0", software "OEChem", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4C C(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC( OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC 1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1C O)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1= O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC 1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O" }, { urn { label "Topological", name "Polar Surface Area", datatype double, implementation "E_TPSA", version "3.4.8.18", software "Cactvs", source "Xemistry GmbH", release "2021.05.07" }, value fval { 205, 10, 1 } }, { urn { label "Weight", name "MonoIsotopic", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "4497.4200072" } }, count { heavy-atom 282, atom-chiral 45, atom-chiral-def 0, atom-chiral-undef 45, bond-chiral 0, bond-chiral-def 0, bond-chiral-undef 0, isotope-atom 0, covalent-unit 1, tautomers -1 } } }