PC-Compounds ::= { { id { id cid 16197306 }, 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 }, 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 }, charge { { aid 3, value -1 }, { aid 72, value -1 }, { aid 73, value -1 }, { aid 75, value -1 }, { aid 76, value -1 }, { aid 77, value -1 }, { aid 78, value -1 }, { aid 79, value -1 }, { aid 80, value -1 }, { aid 81, value -1 }, { aid 82, value -1 }, { aid 83, value -1 }, { aid 96, value -1 }, { aid 98, value -1 } } }, 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, 48, 49, 50, 51, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 67, 68, 69, 70, 70, 71, 84, 84, 85, 86, 87, 88, 89, 90, 91, 92, 92, 93, 94, 95, 97, 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, 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, 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, 198, 198, 199, 199, 200, 200, 201, 201, 202, 202, 203, 203, 204, 204, 205, 205, 206, 206, 206, 207, 207, 208, 209, 209, 210, 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, 227, 227, 236, 236, 236, 238, 238, 239, 240, 240, 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, 72, 41, 54, 73, 42, 56, 74, 43, 57, 75, 44, 59, 76, 45, 58, 77, 46, 61, 78, 47, 60, 79, 49, 63, 80, 50, 62, 81, 52, 66, 82, 53, 64, 83, 65, 71, 96, 68, 69, 98, 157, 179, 158, 180, 159, 181, 160, 183, 161, 182, 162, 184, 163, 185, 164, 186, 165, 188, 175, 190, 178, 191, 148, 150, 151, 152, 149, 153, 154, 155, 193, 197, 156, 166, 196, 208, 167, 192, 198, 199, 200, 201, 202, 203, 204, 205, 207, 209, 210, 195, 211, 214, 216, 212, 213, 217, 239, 244, 218, 415, 228, 229, 230, 231, 232, 233, 234, 243, 416, 235, 237, 241, 242, 246, 248, 274, 278, 179, 219, 228, 180, 220, 229, 181, 221, 230, 182, 222, 231, 183, 223, 232, 184, 224, 233, 185, 225, 234, 186, 226, 235, 188, 227, 237, 190, 238, 241, 191, 240, 242, 197, 245, 246, 208, 247, 248, 216, 273, 274, 239, 277, 278, 228, 260, 229, 261, 230, 262, 231, 263, 232, 264, 233, 265, 234, 266, 235, 267, 237, 268, 241, 270, 242, 271, 246, 275, 248, 276, 260, 419, 420, 261, 421, 422, 262, 423, 424, 263, 425, 426, 264, 427, 428, 265, 429, 430, 266, 431, 432, 267, 433, 434, 268, 435, 436, 270, 437, 438, 271, 439, 440, 274, 280, 275, 442, 443, 276, 444, 445, 278, 282, 280, 446, 447, 282, 448, 449, 157, 168, 283, 158, 169, 284, 159, 170, 285, 160, 172, 286, 161, 171, 287, 162, 173, 288, 163, 174, 289, 164, 176, 290, 165, 177, 291, 198, 292, 199, 293, 200, 294, 201, 295, 202, 296, 204, 297, 203, 298, 207, 299, 205, 300, 175, 187, 301, 178, 189, 302, 179, 303, 304, 180, 305, 306, 181, 307, 308, 182, 309, 310, 183, 311, 312, 184, 313, 314, 185, 315, 316, 210, 317, 186, 318, 319, 188, 320, 321, 209, 322, 323, 324, 325, 326, 327, 328, 329, 330, 190, 331, 332, 333, 191, 334, 335, 336, 337, 193, 194, 338, 212, 339, 197, 340, 341, 196, 206, 342, 211, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 208, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 214, 215, 374, 243, 375, 216, 376, 377, 378, 218, 244, 379, 236, 380, 249, 381, 250, 382, 251, 383, 252, 384, 253, 385, 254, 386, 255, 387, 256, 388, 257, 389, 239, 390, 391, 258, 392, 393, 259, 394, 395, 396, 397, 398, 269, 399, 272, 400, 260, 401, 261, 402, 262, 403, 263, 404, 264, 405, 265, 406, 266, 407, 267, 408, 268, 409, 270, 410, 271, 411, 275, 412, 276, 413, 279, 414, 281, 417, 280, 418, 282, 441 }, order { double, double, single, double, double, double, double, double, double, double, double, double, double, double, single, 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, double, double, double, double, double, double, double, single, single, 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, double, single, double, single, double, single, double, single, double, single, double, single, double, 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, single, single, double, single, double, single, double, single, double, single, double, single, double, single, double, single, double, single, double, single, single, single, single, double, single, single, double, 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 168, below 283, parity any, type tetrahedral }, tetrahedral { center 149, above 44, top 158, bottom 169, below 284, parity any, type tetrahedral }, tetrahedral { center 150, above 41, top 159, bottom 170, below 285, parity any, type tetrahedral }, tetrahedral { center 151, above 42, top 160, bottom 172, below 286, parity any, type tetrahedral }, tetrahedral { center 152, above 43, top 161, bottom 171, below 287, parity any, type tetrahedral }, tetrahedral { center 153, above 45, top 162, bottom 173, below 288, parity any, type tetrahedral }, tetrahedral { center 154, above 46, top 163, bottom 174, 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 49, top 165, bottom 177, below 291, parity any, type tetrahedral }, tetrahedral { center 157, above 29, top 148, bottom 198, 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 200, 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 202, below 296, parity any, type tetrahedral }, tetrahedral { center 162, above 34, top 153, bottom 204, below 297, parity any, type tetrahedral }, tetrahedral { center 163, above 35, top 154, bottom 203, below 298, parity any, type tetrahedral }, tetrahedral { center 164, above 36, top 155, bottom 207, 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 167, above 52, top 178, bottom 189, below 302, parity any, type tetrahedral }, tetrahedral { center 175, above 38, top 166, bottom 210, below 317, parity any, type tetrahedral }, tetrahedral { center 178, above 39, top 167, bottom 209, below 322, parity any, type tetrahedral }, tetrahedral { center 179, above 29, top 103, bottom 168, below 323, parity any, type tetrahedral }, tetrahedral { center 180, above 30, top 104, bottom 169, below 324, parity any, type tetrahedral }, tetrahedral { center 181, above 31, top 105, bottom 170, below 325, parity any, type tetrahedral }, tetrahedral { center 182, above 33, top 106, bottom 171, below 326, parity any, type tetrahedral }, tetrahedral { center 183, above 32, top 107, bottom 172, below 327, parity any, type tetrahedral }, tetrahedral { center 184, above 34, top 108, bottom 173, below 328, parity any, type tetrahedral }, tetrahedral { center 185, above 35, top 109, bottom 174, 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 48, top 192, bottom 212, below 339, parity any, type tetrahedral }, tetrahedral { center 195, above 65, top 196, bottom 206, below 342, parity any, type tetrahedral }, tetrahedral { center 196, above 51, top 195, bottom 211, below 343, parity any, type tetrahedral }, tetrahedral { center 197, above 48, top 114, bottom 194, below 344, parity any, type tetrahedral }, tetrahedral { center 208, above 51, top 115, bottom 206, below 365, parity any, type tetrahedral }, tetrahedral { center 213, above 69, top 214, bottom 215, below 374, parity any, type tetrahedral }, tetrahedral { center 214, above 67, top 213, bottom 243, below 375, parity any, type tetrahedral }, tetrahedral { center 216, above 67, top 116, bottom 215, below 378, parity any, type tetrahedral }, tetrahedral { center 217, above 70, top 218, bottom 244, below 379, parity any, type tetrahedral }, tetrahedral { center 218, above 84, top 217, bottom 236, below 380, parity any, type tetrahedral }, tetrahedral { center 239, above 70, top 117, bottom 236, below 393, 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 }, conformers { { x { { 249233, 10, -4 }, { 273609, 10, -4 }, { 313232, 10, -4 }, { 353711, 10, -4 }, { 207518, 10, -4 }, { 377808, 10, -4 }, { 183143, 10, -4 }, { 393243, 10, -4 }, { 141428, 10, -4 }, { 344782, 10, -4 }, { 117052, 10, -4 }, { 327781, 10, -4 }, { 75338, 10, -4 }, { 274273, 10, -4 }, { 248187, 10, -4 }, { 281699, 10, -4 }, { 314278, 10, -4 }, { 361802, 10, -4 }, { 215609, 10, -4 }, { 387589, 10, -4 }, { 182097, 10, -4 }, { 384583, 10, -4 }, { 149518, 10, -4 }, { 351474, 10, -4 }, { 116007, 10, -4 }, { 317781, 10, -4 }, { 83428, 10, -4 }, { 280964, 10, -4 }, { 277101, 10, -4 }, { 215728, 10, -4 }, { 281818, 10, -4 }, { 343191, 10, -4 }, { 393451, 10, -4 }, { 400461, 10, -4 }, { 21101, 10, -3 }, { 372559, 10, -4 }, { 149638, 10, -4 }, { 318351, 10, -4 }, { 14492, 10, -3 }, { 258133, 10, -4 }, { 287577, 10, -4 }, { 324223, 10, -4 }, { 367679, 10, -4 }, { 221486, 10, -4 }, { 397371, 10, -4 }, { 192042, 10, -4 }, { 389583, 10, -4 }, { 293294, 10, -4 }, { 155396, 10, -4 }, { 344042, 10, -4 }, { 83547, 10, -4 }, { 125952, 10, -4 }, { 317781, 10, -4 }, { 275821, 10, -4 }, { 238242, 10, -4 }, { 304332, 10, -4 }, { 355924, 10, -4 }, { 389668, 10, -4 }, { 209731, 10, -4 }, { 379583, 10, -4 }, { 172152, 10, -4 }, { 358165, 10, -4 }, { 143641, 10, -4 }, { 317781, 10, -4 }, { 89306, 10, -4 }, { 106062, 10, -4 }, { 250932, 10, -4 }, { 288396, 10, -4 }, { 273533, 10, -4 }, { 6574, 10, -3 }, { 7755, 10, -3 }, { 247142, 10, -4 }, { 289789, 10, -4 }, { 315323, 10, -4 }, { 369892, 10, -4 }, { 223699, 10, -4 }, { 38551, 10, -3 }, { 181052, 10, -4 }, { 375923, 10, -4 }, { 157609, 10, -4 }, { 358905, 10, -4 }, { 114962, 10, -4 }, { 307781, 10, -4 }, { 88341, 10, -4 }, { 286331, 10, -4 }, { 189272, 10, -4 }, { 255362, 10, -4 }, { 388248, 10, -4 }, { 352421, 10, -4 }, { 428242, 10, -4 }, { 220241, 10, -4 }, { 276755, 10, -4 }, { 39949, 10, -3 }, { 123182, 10, -4 }, { 329576, 10, -4 }, { 91518, 10, -4 }, { 154151, 10, -4 }, { 287656, 10, -4 }, { 278404, 10, -4 }, { 74412, 10, -4 }, { 243684, 10, -4 }, { 58492, 10, -4 }, { 26901, 10, -3 }, { 197932, 10, -4 }, { 264022, 10, -4 }, { 399838, 10, -4 }, { 335101, 10, -4 }, { 418062, 10, -4 }, { 20292, 10, -3 }, { 382264, 10, -4 }, { 131842, 10, -4 }, { 315564, 10, -4 }, { 13683, 10, -3 }, { 294227, 10, -4 }, { 65752, 10, -4 }, { 238331, 10, -4 }, { 53139, 10, -4 }, { 277671, 10, -4 }, { 180612, 10, -4 }, { 246702, 10, -4 }, { 40519, 10, -3 }, { 343761, 10, -4 }, { 435287, 10, -4 }, { 211581, 10, -4 }, { 392445, 10, -4 }, { 114521, 10, -4 }, { 313753, 10, -4 }, { 14549, 10, -3 }, { 280214, 10, -4 }, { 57092, 10, -4 }, { 26901, 10, -3 }, { 171951, 10, -4 }, { 238042, 10, -4 }, { 422132, 10, -4 }, { 335101, 10, -4 }, { 442332, 10, -4 }, { 20292, 10, -3 }, { 3854, 10, -2 }, { 105861, 10, -4 }, { 29793, 10, -3 }, { 13683, 10, -3 }, { 226742, 10, -4 }, { 282025, 10, -4 }, { 39771, 10, -4 }, { 4155, 10, -3 }, { 2098, 10, -2 }, { 24608, 10, -4 }, { 26401, 10, -3 }, { 217419, 10, -4 }, { 283509, 10, -4 }, { 330101, 10, -4 }, { 377625, 10, -4 }, { 400461, 10, -4 }, { 19792, 10, -3 }, { 384583, 10, -4 }, { 151329, 10, -4 }, { 27401, 10, -3 }, { 222419, 10, -4 }, { 288509, 10, -4 }, { 340101, 10, -4 }, { 384316, 10, -4 }, { 394583, 10, -4 }, { 20792, 10, -3 }, { 374638, 10, -4 }, { 156329, 10, -4 }, { 334532, 10, -4 }, { 13183, 10, -3 }, { 26092, 10, -3 }, { 207638, 10, -4 }, { 273728, 10, -4 }, { 382625, 10, -4 }, { 32701, 10, -3 }, { 409971, 10, -4 }, { 19483, 10, -3 }, { 326441, 10, -4 }, { 38865, 10, -3 }, { 141547, 10, -4 }, { 14183, 10, -3 }, { 26901, 10, -3 }, { 206592, 10, -4 }, { 272683, 10, -4 }, { 392406, 10, -4 }, { 335101, 10, -4 }, { 409971, 10, -4 }, { 20292, 10, -3 }, { 381219, 10, -4 }, { 331441, 10, -4 }, { 140502, 10, -4 }, { 12874, 10, -3 }, { 321441, 10, -4 }, { 13683, 10, -3 }, { 309121, 10, -4 }, { 299986, 10, -4 }, { 308076, 10, -4 }, { 85239, 10, -4 }, { 90239, 10, -4 }, { 298294, 10, -4 }, { 279888, 10, -4 }, { 232364, 10, -4 }, { 298455, 10, -4 }, { 345979, 10, -4 }, { 382237, 10, -4 }, { 213798, 10, -4 }, { 384583, 10, -4 }, { 166274, 10, -4 }, { 75457, 10, -4 }, { 367946, 10, -4 }, { 74412, 10, -4 }, { 147708, 10, -4 }, { 326441, 10, -4 }, { 100184, 10, -4 }, { 297906, 10, -4 }, { 264022, 10, -4 }, { 260932, 10, -4 }, { 255932, 10, -4 }, { 247842, 10, -4 }, { 7574, 10, -3 }, { 7883, 10, -3 }, { 26035, 10, -3 }, { 197932, 10, -4 }, { 264022, 10, -4 }, { 409348, 10, -4 }, { 32644, 10, -3 }, { 417016, 10, -4 }, { 19426, 10, -3 }, { 374174, 10, -4 }, { 131842, 10, -4 }, { 277671, 10, -4 }, { 189272, 10, -4 }, { 255362, 10, -4 }, { 397758, 10, -4 }, { 343761, 10, -4 }, { 427197, 10, -4 }, { 211581, 10, -4 }, { 3914, 10, -2 }, { 7074, 10, -3 }, { 123182, 10, -4 }, { 305618, 10, -4 }, { 6265, 10, -3 }, { 12817, 10, -3 }, { 319631, 10, -4 }, { 14549, 10, -3 }, { 26681, 10, -3 }, { 81618, 10, -4 }, { 300105, 10, -4 }, { 284282, 10, -4 }, { 57092, 10, -4 }, { 65752, 10, -4 }, { 26035, 10, -3 }, { 189272, 10, -4 }, { 255362, 10, -4 }, { 41678, 10, -3 }, { 32644, 10, -3 }, { 425106, 10, -4 }, { 19426, 10, -3 }, { 375219, 10, -4 }, { 123182, 10, -4 }, { 299741, 10, -4 }, { 12817, 10, -3 }, { 26901, 10, -3 }, { 180612, 10, -4 }, { 246702, 10, -4 }, { 414701, 10, -4 }, { 335101, 10, -4 }, { 434242, 10, -4 }, { 20292, 10, -3 }, { 384355, 10, -4 }, { 114521, 10, -4 }, { 296037, 10, -4 }, { 303808, 10, -4 }, { 13683, 10, -3 }, { 48431, 10, -4 }, { 2309, 10, -2 }, { 236252, 10, -4 }, { 286092, 10, -4 }, { 48431, 10, -4 }, { 45708, 10, -4 }, { 5106, 10, -3 }, { 221389, 10, -4 }, { 21931, 10, -3 }, { 36197, 10, -4 }, { 34118, 10, -4 }, { 266825, 10, -4 }, { 223611, 10, -4 }, { 289701, 10, -4 }, { 323977, 10, -4 }, { 375403, 10, -4 }, { 404845, 10, -4 }, { 200735, 10, -4 }, { 381206, 10, -4 }, { 147427, 10, -4 }, { 280134, 10, -4 }, { 224641, 10, -4 }, { 290731, 10, -4 }, { 346224, 10, -4 }, { 389134, 10, -4 }, { 391768, 10, -4 }, { 214044, 10, -4 }, { 368649, 10, -4 }, { 158551, 10, -4 }, { 335502, 10, -4 }, { 125706, 10, -4 }, { 25782, 10, -3 }, { 255256, 10, -4 }, { 20699, 10, -3 }, { 201438, 10, -4 }, { 27308, 10, -3 }, { 267528, 10, -4 }, { 384541, 10, -4 }, { 376961, 10, -4 }, { 32391, 10, -3 }, { 321347, 10, -4 }, { 416137, 10, -4 }, { 41126, 10, -3 }, { 19173, 10, -3 }, { 189166, 10, -4 }, { 320917, 10, -4 }, { 392295, 10, -4 }, { 39402, 10, -3 }, { 140899, 10, -4 }, { 135347, 10, -4 }, { 147954, 10, -4 }, { 274535, 10, -4 }, { 206917, 10, -4 }, { 273007, 10, -4 }, { 398194, 10, -4 }, { 340625, 10, -4 }, { 415496, 10, -4 }, { 197396, 10, -4 }, { 387007, 10, -4 }, { 337506, 10, -4 }, { 330793, 10, -4 }, { 135302, 10, -4 }, { 12564, 10, -3 }, { 123076, 10, -4 }, { 324256, 10, -4 }, { 131306, 10, -4 }, { 308797, 10, -4 }, { 293997, 10, -4 }, { 308724, 10, -4 }, { 314276, 10, -4 }, { 9143, 10, -3 }, { 92461, 10, -4 }, { 292103, 10, -4 }, { 285028, 10, -4 }, { 284195, 10, -4 }, { 230655, 10, -4 }, { 237937, 10, -4 }, { 296746, 10, -4 }, { 304027, 10, -4 }, { 340406, 10, -4 }, { 347687, 10, -4 }, { 376488, 10, -4 }, { 378951, 10, -4 }, { 218938, 10, -4 }, { 218105, 10, -4 }, { 38566, 10, -3 }, { 378757, 10, -4 }, { 164565, 10, -4 }, { 171847, 10, -4 }, { 74809, 10, -4 }, { 69257, 10, -4 }, { 373204, 10, -4 }, { 365624, 10, -4 }, { 74736, 10, -4 }, { 152848, 10, -4 }, { 152015, 10, -4 }, { 328562, 10, -4 }, { 332547, 10, -4 }, { 98475, 10, -4 }, { 105756, 10, -4 }, { 304103, 10, -4 }, { 298769, 10, -4 }, { 268406, 10, -4 }, { 258117, 10, -4 }, { 251784, 10, -4 }, { 260081, 10, -4 }, { 243458, 10, -4 }, { 72925, 10, -4 }, { 83214, 10, -4 }, { 254981, 10, -4 }, { 203301, 10, -4 }, { 269392, 10, -4 }, { 410637, 10, -4 }, { 321071, 10, -4 }, { 411352, 10, -4 }, { 188891, 10, -4 }, { 36851, 10, -3 }, { 137211, 10, -4 }, { 74888, 10, -4 }, { 66591, 10, -4 }, { 303097, 10, -4 }, { 58266, 10, -4 }, { 122801, 10, -4 }, { 268519, 10, -4 }, { 261238, 10, -4 }, { 86758, 10, -4 }, { 85925, 10, -4 }, { 306271, 10, -4 }, { 57092, 10, -4 }, { 254981, 10, -4 }, { 189272, 10, -4 }, { 255362, 10, -4 }, { 422676, 10, -4 }, { 321071, 10, -4 }, { 424458, 10, -4 }, { 188891, 10, -4 }, { 370203, 10, -4 }, { 123182, 10, -4 }, { 293575, 10, -4 }, { 122801, 10, -4 }, { 299682, 10, -4 }, { 43062, 10, -4 }, { 232189, 10, -4 }, { 8963, 10, -3 }, { 2804, 10, -2 }, { 46997, 10, -4 }, { 216782, 10, -4 }, { 263641, 10, -4 }, { 27438, 10, -3 }, { 166582, 10, -4 }, { 171951, 10, -4 }, { 238042, 10, -4 }, { 232672, 10, -4 }, { 428028, 10, -4 }, { 420843, 10, -4 }, { 329731, 10, -4 }, { 34047, 10, -3 }, { 441684, 10, -4 }, { 447996, 10, -4 }, { 197551, 10, -4 }, { 20829, 10, -3 }, { 391064, 10, -4 }, { 380384, 10, -4 }, { 100492, 10, -4 }, { 105861, 10, -4 }, { 291764, 10, -4 }, { 300452, 10, -4 }, { 131461, 10, -4 }, { 142199, 10, -4 }, { 3159, 10, -3 }, { 285669, 10, -4 }, { 275859, 10, -4 }, { 34402, 10, -4 }, { 39771, 10, -4 }, { 208511, 10, -4 }, { 205192, 10, -4 }, { 23318, 10, -4 }, { 2, 10, 0 } }, y { { 50961, 10, -4 }, { 16867, 10, -4 }, { -7087, 10, -4 }, { -1111, 10, -3 }, { 55024, 10, -4 }, { -43883, 10, -4 }, { 89118, 10, -4 }, { -77963, 10, -4 }, { 93181, 10, -4 }, { -81113, 10, -4 }, { 127275, 10, -4 }, { -123024, 10, -4 }, { 131339, 10, -4 }, { -120344, 10, -4 }, { 41016, 10, -4 }, { 22745, 10, -4 }, { 2859, 10, -4 }, { -5232, 10, -4 }, { 60902, 10, -4 }, { -45962, 10, -4 }, { 79173, 10, -4 }, { -82963, 10, -4 }, { 99059, 10, -4 }, { -88545, 10, -4 }, { 11733, 10, -3 }, { -123024, 10, -4 }, { 137216, 10, -4 }, { -127776, 10, -4 }, { 57571, 10, -4 }, { 27585, 10, -4 }, { -10572, 10, -4 }, { 19414, 10, -4 }, { -15641, 10, -4 }, { -73732, 10, -4 }, { 95728, 10, -4 }, { -11111, 10, -3 }, { 65742, 10, -4 }, { -92146, 10, -4 }, { 133886, 10, -4 }, { 3997, 10, -3 }, { 14655, 10, -4 }, { 1813, 10, -4 }, { -13322, 10, -4 }, { 52812, 10, -4 }, { -48041, 10, -4 }, { 78128, 10, -4 }, { -91623, 10, -4 }, { -141388, 10, -4 }, { 90969, 10, -4 }, { -95236, 10, -4 }, { 103899, 10, -4 }, { 116285, 10, -4 }, { -133024, 10, -4 }, { 30835, 10, -4 }, { 42061, 10, -4 }, { 3904, 10, -4 }, { 2859, 10, -4 }, { -36181, 10, -4 }, { 68992, 10, -4 }, { -74302, 10, -4 }, { 80218, 10, -4 }, { -95976, 10, -4 }, { 107149, 10, -4 }, { -113024, 10, -4 }, { 129126, 10, -4 }, { 118375, 10, -4 }, { -121866, 10, -4 }, { -121085, 10, -4 }, { -134467, 10, -4 }, { 162532, 10, -4 }, { 145307, 10, -4 }, { 3107, 10, -3 }, { 28623, 10, -4 }, { 12804, 10, -4 }, { 646, 10, -4 }, { 6678, 10, -3 }, { -55744, 10, -4 }, { 69228, 10, -4 }, { -87963, 10, -4 }, { 104937, 10, -4 }, { -81853, 10, -4 }, { 107385, 10, -4 }, { -123024, 10, -4 }, { 175133, 10, -4 }, { 73449, 10, -4 }, { 41652, 10, -4 }, { 3495, 10, -4 }, { 13868, 10, -4 }, { 35292, 10, -4 }, { -62507, 10, -4 }, { 111606, 10, -4 }, { -114822, 10, -4 }, { -124245, 10, -4 }, { 79809, 10, -4 }, { -64364, 10, -4 }, { 143094, 10, -4 }, { 149763, 10, -4 }, { -135207, 10, -4 }, { -152139, 10, -4 }, { 87966, 10, -4 }, { -15094, 10, -3 }, { 191606, 10, -4 }, { 73449, 10, -4 }, { 26652, 10, -4 }, { -11505, 10, -4 }, { 996, 10, -4 }, { 35292, 10, -4 }, { -7652, 10, -3 }, { 111606, 10, -4 }, { -126055, 10, -4 }, { 64809, 10, -4 }, { -74545, 10, -4 }, { 149763, 10, -4 }, { -159183, 10, -4 }, { 102966, 10, -4 }, { -134467, 10, -4 }, { 175133, 10, -4 }, { 88449, 10, -4 }, { 26652, 10, -4 }, { -11505, 10, -4 }, { 17469, 10, -4 }, { 50292, 10, -4 }, { -7833, 10, -3 }, { 126606, 10, -4 }, { -140068, 10, -4 }, { 64809, 10, -4 }, { -57319, 10, -4 }, { 164763, 10, -4 }, { -169364, 10, -4 }, { 87966, 10, -4 }, { 103449, 10, -4 }, { 11652, 10, -4 }, { -26505, 10, -4 }, { 2107, 10, -3 }, { 65292, 10, -4 }, { -94154, 10, -4 }, { 141606, 10, -4 }, { -155891, 10, -4 }, { 49809, 10, -4 }, { -50274, 10, -4 }, { 179763, 10, -4 }, { -147339, 10, -4 }, { -18659, 10, -3 }, { 87966, 10, -4 }, { 188005, 10, -4 }, { -143738, 10, -4 }, { 184403, 10, -4 }, { 48061, 10, -4 }, { 43676, 10, -4 }, { 5519, 10, -4 }, { 9903, 10, -4 }, { -12276, 10, -4 }, { -57552, 10, -4 }, { 86218, 10, -4 }, { -100283, 10, -4 }, { 81834, 10, -4 }, { 48061, 10, -4 }, { 35016, 10, -4 }, { -3141, 10, -4 }, { 9903, 10, -4 }, { -19708, 10, -4 }, { -65642, 10, -4 }, { 86218, 10, -4 }, { -101328, 10, -4 }, { 73173, 10, -4 }, { -92146, 10, -4 }, { 124375, 10, -4 }, { 57571, 10, -4 }, { 41597, 10, -4 }, { 344, 10, -3 }, { -3616, 10, -4 }, { 19414, 10, -4 }, { -60642, 10, -4 }, { 95728, 10, -4 }, { -98024, 10, -4 }, { -109419, 10, -4 }, { 79754, 10, -4 }, { 124375, 10, -4 }, { 63449, 10, -4 }, { 31652, 10, -4 }, { -6505, 10, -4 }, { -5695, 10, -4 }, { 25292, 10, -4 }, { -70642, 10, -4 }, { 101606, 10, -4 }, { -11611, 10, -3 }, { -82635, 10, -4 }, { 69809, 10, -4 }, { 133886, 10, -4 }, { -82635, 10, -4 }, { 139763, 10, -4 }, { -138024, 10, -4 }, { -133956, 10, -4 }, { -147969, 10, -4 }, { 119991, 10, -4 }, { 11133, 10, -3 }, { -150048, 10, -4 }, { 3997, 10, -3 }, { 33971, 10, -4 }, { -4186, 10, -4 }, { 1813, 10, -4 }, { -2949, 10, -3 }, { 78128, 10, -4 }, { -65642, 10, -4 }, { 72128, 10, -4 }, { 117912, 10, -4 }, { -93897, 10, -4 }, { 107966, 10, -4 }, { 116285, 10, -4 }, { -108024, 10, -4 }, { 110285, 10, -4 }, { -124175, 10, -4 }, { -131377, 10, -4 }, { -121866, 10, -4 }, { -137255, 10, -4 }, { -131377, 10, -4 }, { 162532, 10, -4 }, { 172043, 10, -4 }, { 78449, 10, -4 }, { 16652, 10, -4 }, { -21505, 10, -4 }, { -2094, 10, -4 }, { 40292, 10, -4 }, { -86465, 10, -4 }, { 116606, 10, -4 }, { -131933, 10, -4 }, { 54809, 10, -4 }, { 78449, 10, -4 }, { 31652, 10, -4 }, { -6505, 10, -4 }, { 10777, 10, -4 }, { 40292, 10, -4 }, { -72453, 10, -4 }, { 116606, 10, -4 }, { -130122, 10, -4 }, { 177921, 10, -4 }, { 69809, 10, -4 }, { -7559, 10, -3 }, { 172043, 10, -4 }, { 154763, 10, -4 }, { -6541, 10, -3 }, { 154763, 10, -4 }, { -113776, 10, -4 }, { 154442, 10, -4 }, { -167274, 10, -4 }, { -160229, 10, -4 }, { 107966, 10, -4 }, { 92966, 10, -4 }, { 88449, 10, -4 }, { 11652, 10, -4 }, { -26505, 10, -4 }, { 4597, 10, -4 }, { 50292, 10, -4 }, { -92343, 10, -4 }, { 126606, 10, -4 }, { -141878, 10, -4 }, { 49809, 10, -4 }, { -675, 10, -2 }, { 164763, 10, -4 }, { 93449, 10, -4 }, { 16652, 10, -4 }, { -21505, 10, -4 }, { 14378, 10, -4 }, { 55292, 10, -4 }, { -88276, 10, -4 }, { 131606, 10, -4 }, { -145946, 10, -4 }, { 54809, 10, -4 }, { -176409, 10, -4 }, { -58365, 10, -4 }, { 169763, 10, -4 }, { 102966, 10, -4 }, { -127776, 10, -4 }, { -144249, 10, -4 }, { -177454, 10, -4 }, { 92966, 10, -4 }, { 168442, 10, -4 }, { 184914, 10, -4 }, { -130866, 10, -4 }, { -140648, 10, -4 }, { 171532, 10, -4 }, { 181313, 10, -4 }, { 42536, 10, -4 }, { 44001, 10, -4 }, { 5844, 10, -4 }, { 10873, 10, -4 }, { -18065, 10, -4 }, { -53168, 10, -4 }, { 80694, 10, -4 }, { -95083, 10, -4 }, { 86652, 10, -4 }, { 4903, 10, -3 }, { 29228, 10, -4 }, { -8929, 10, -4 }, { 10873, 10, -4 }, { -2361, 10, -3 }, { -71166, 10, -4 }, { 87188, 10, -4 }, { -102933, 10, -4 }, { 67385, 10, -4 }, { -98269, 10, -4 }, { 125345, 10, -4 }, { 62941, 10, -4 }, { 55049, 10, -4 }, { 47763, 10, -4 }, { 41597, 10, -4 }, { 9606, 10, -4 }, { 344, 10, -3 }, { 228, 10, -3 }, { -1095, 10, -4 }, { 24783, 10, -4 }, { 16892, 10, -4 }, { -6129, 10, -3 }, { -54578, 10, -4 }, { 101098, 10, -4 }, { 93207, 10, -4 }, { -100838, 10, -4 }, { -114434, 10, -4 }, { -106319, 10, -4 }, { 8592, 10, -3 }, { 79754, 10, -4 }, { 125345, 10, -4 }, { 66264, 10, -4 }, { 2546, 10, -3 }, { -12697, 10, -4 }, { -7917, 10, -4 }, { 28107, 10, -4 }, { -67827, 10, -4 }, { 104421, 10, -4 }, { -118332, 10, -4 }, { -81346, 10, -4 }, { -76469, 10, -4 }, { 73186, 10, -4 }, { 139255, 10, -4 }, { 131364, 10, -4 }, { -77111, 10, -4 }, { 142578, 10, -4 }, { -131832, 10, -4 }, { -132352, 10, -4 }, { -154135, 10, -4 }, { -147969, 10, -4 }, { 120315, 10, -4 }, { 105542, 10, -4 }, { -150372, 10, -4 }, { 36503, 10, -4 }, { 4443, 10, -3 }, { 28011, 10, -4 }, { 31253, 10, -4 }, { -10146, 10, -4 }, { -6904, 10, -4 }, { -905, 10, -4 }, { -4147, 10, -4 }, { -27167, 10, -4 }, { -34747, 10, -4 }, { 74661, 10, -4 }, { 82587, 10, -4 }, { -59536, 10, -4 }, { -63522, 10, -4 }, { 66168, 10, -4 }, { 6941, 10, -3 }, { 124078, 10, -4 }, { 117912, 10, -4 }, { -90612, 10, -4 }, { -88148, 10, -4 }, { 101775, 10, -4 }, { 112818, 10, -4 }, { 120745, 10, -4 }, { -11385, 10, -3 }, { -106947, 10, -4 }, { 104325, 10, -4 }, { 107567, 10, -4 }, { -123958, 10, -4 }, { -118035, 10, -4 }, { -126993, 10, -4 }, { -116342, 10, -4 }, { -141862, 10, -4 }, { -141862, 10, -4 }, { -126993, 10, -4 }, { 157008, 10, -4 }, { 167659, 10, -4 }, { 75349, 10, -4 }, { 13552, 10, -4 }, { -24605, 10, -4 }, { -8159, 10, -4 }, { 37192, 10, -4 }, { -88987, 10, -4 }, { 113506, 10, -4 }, { -129411, 10, -4 }, { 51709, 10, -4 }, { 182528, 10, -4 }, { 182528, 10, -4 }, { -81254, 10, -4 }, { 167659, 10, -4 }, { 151663, 10, -4 }, { -107816, 10, -4 }, { -111058, 10, -4 }, { 150975, 10, -4 }, { 158902, 10, -4 }, { -166625, 10, -4 }, { 114166, 10, -4 }, { 91549, 10, -4 }, { 5452, 10, -4 }, { -32705, 10, -4 }, { 2681, 10, -4 }, { 53392, 10, -4 }, { -98509, 10, -4 }, { 129706, 10, -4 }, { -145522, 10, -4 }, { 43609, 10, -4 }, { -68148, 10, -4 }, { 167863, 10, -4 }, { -181425, 10, -4 }, { 106066, 10, -4 }, { -121711, 10, -4 }, { 181197, 10, -4 }, { -109806, 10, -4 }, { 162377, 10, -4 }, { -126717, 10, -4 }, { 106549, 10, -4 }, { 106549, 10, -4 }, { 14752, 10, -4 }, { 5452, 10, -4 }, { -32705, 10, -4 }, { -23405, 10, -4 }, { 19154, 10, -4 }, { 27134, 10, -4 }, { 68392, 10, -4 }, { 68392, 10, -4 }, { -10032, 10, -3 }, { -91632, 10, -4 }, { 144706, 10, -4 }, { 144706, 10, -4 }, { -158413, 10, -4 }, { -159535, 10, -4 }, { 52909, 10, -4 }, { 43609, 10, -4 }, { -50923, 10, -4 }, { -4461, 10, -3 }, { 182863, 10, -4 }, { 182863, 10, -4 }, { 167383, 10, -4 }, { -191606, 10, -4 }, { -187238, 10, -4 }, { 91066, 10, -4 }, { 81766, 10, -4 }, { -149802, 10, -4 }, { -139589, 10, -4 }, { 190468, 10, -4 }, { 180255, 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, wavy, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, wavy, aromatic, 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, 167, 175, 178, 179, 180, 181, 182, 183, 184, 185, 186, 188, 190, 191, 192, 193, 195, 196, 197, 208, 213, 214, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 238, 239, 240, 245, 247, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 269, 272, 273, 277, 279, 281 }, aid2 { 219, 228, 220, 229, 221, 230, 222, 231, 223, 232, 224, 233, 225, 234, 226, 235, 227, 237, 238, 241, 240, 242, 245, 246, 247, 248, 273, 274, 277, 278, 228, 260, 229, 261, 230, 262, 231, 263, 232, 264, 233, 265, 234, 266, 235, 267, 237, 268, 241, 270, 242, 271, 246, 275, 248, 276, 274, 280, 278, 282, 40, 44, 41, 42, 43, 45, 46, 47, 49, 198, 199, 200, 201, 202, 204, 203, 207, 205, 50, 52, 210, 209, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 53, 212, 65, 211, 114, 115, 69, 243, 116, 244, 84, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 117, 259, 269, 272, 260, 261, 262, 263, 264, 265, 266, 267, 268, 270, 271, 275, 276, 279, 281, 280, 282 } } } } } }, charge -14, props { { urn { label "Compound", name "Canonicalized", datatype uint, release "2021.05.07" }, 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 17 }, { 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 81020000000000000000001E00100820000814E18006010003400710A840226674808000010002 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-oxido-phosphinothio yl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphinothioyl]oxymethyl]tetrahyd rofuran-3-yl]oxy-oxido-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxid o-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphinothioyl]oxy methyl]tetrahydrofuran-3-yl]oxy-oxido-phosphinothioyl]oxymethyl]tetrahydrofura n-3-yl]oxy-sulfido-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphi nothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphinothioyl]oxymethyl]te trahydrofuran-3-yl]oxy-oxido-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]ox y-oxido-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphinothio yl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-phosphinothioyl]oxymethyl]tetrahyd rofuran-3-yl]oxy-oxido-phosphinothioyl]oxymethyl]-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-oxidophosphinothioyl]oxymethyl]-3-oxolanyl ]oxy-oxidophosphinothioyl]oxymethyl]-3-oxolanyl]oxy-oxidophosphinothioyl]oxyme thyl]-3-oxolanyl]oxy-oxidophosphinothioyl]oxymethyl]-3-oxolanyl]oxy-oxidophosp hinothioyl]oxymethyl]-3-oxolanyl]oxy-oxidophosphinothioyl]oxymethyl]-3-oxolany l]oxy-sulfidophosphoryl]oxymethyl]-3-oxolanyl]oxy-oxidophosphinothioyl]oxymeth yl]-3-oxolanyl]oxy-oxidophosphinothioyl]oxymethyl]-3-oxolanyl]oxy-oxidophosphi nothioyl]oxymethyl]-3-oxolanyl]oxy-oxidophosphinothioyl]oxymethyl]-3-oxolanyl] oxy-oxidophosphinothioyl]oxymethyl]-3-oxolanyl]oxy-oxidophosphinothioyl]oxymet hyl]-3-oxolanyl]oxy-oxidophosphinothioyl]oxymethyl]-4-hydroxy-2-oxolanyl]-2-py rimidinone" }, { 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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl ]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxyme thyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosp hinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-y l]oxy-sulfidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymeth yl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphi nothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl] oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymet hyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrim idin-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-oxidophosphinothioyl]oxymethyl]oxolan-3-yl ]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxyme thyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosp hinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-y l]oxy-sulfidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymeth yl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphi nothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl] oxy-oxidophosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymet hyl]oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrim idin-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-oxidanidyl-phosphinothioyl]ox ymethyl]oxolan-3-yl]oxy-oxidanidyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-o xidanidyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanidyl-phosphinothioyl ]oxymethyl]oxolan-3-yl]oxy-oxidanidyl-phosphinothioyl]oxymethyl]oxolan-3-yl]ox y-oxidanidyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanidyl-phosphoryl]o xymethyl]oxolan-3-yl]oxy-oxidanidyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy- oxidanidyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanidyl-phosphinothioy l]oxymethyl]oxolan-3-yl]oxy-oxidanidyl-phosphinothioyl]oxymethyl]oxolan-3-yl]o xy-oxidanidyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanidyl-phosphinoth ioyl]oxymethyl]oxolan-3-yl]oxy-oxidanidyl-phosphinothioyl]oxymethyl]-4-oxidany l-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-oxido-thiop hosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-thiophosphoryl]oxymethyl]te trahydrofuran-3-yl]oxy-oxido-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy -oxido-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-thiophosphoryl] oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-thiophosphoryl]oxymethyl]tetrahydrofu ran-3-yl]oxy-sulfido-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-thiop hosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-thiophosphoryl]oxymethyl]te trahydrofuran-3-yl]oxy-oxido-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy -oxido-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-thiophosphoryl] oxymethyl]tetrahydrofuran-3-yl]oxy-oxido-thiophosphoryl]oxymethyl]tetrahydrofu ran-3-yl]oxy-oxido-thiophosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]py rimidin-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)/p-14" }, { urn { label "InChIKey", name "Standard", datatype string, version "1.0.6", software "InChI", source "iupac.org", release "2021.05.07" }, value sval "FOWIZQXWEYJCQR-UHFFFAOYSA-A" }, { urn { label "Log P", name "XLogP3-AA", datatype double, version "3.0", source "sioc-ccbg.ac.cn", release "2021.05.07" }, value fval { -121, 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 "4484.3138116" }, { urn { label "Molecular Formula", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "C135H167N45O74P14S14-14" }, { urn { label "Molecular Weight", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "4487" }, { 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- ])OC4CC(OC4COP(=S)([O-])OC5CC(OC5COP(=S)([O-])OC6CC(OC6COP(=S)([O-])OC7CC(OC7C OP(=S)([O-])OC8CC(OC8COP(=S)([O-])OC9CC(OC9COP(=O)(OC1CC(OC1COP(=S)([O-])OC1CC (OC1COP(=S)([O-])OC1CC(OC1COP(=S)([O-])OC1CC(OC1COP(=S)([O-])OC1CC(OC1COP(=S)( [O-])OC1CC(OC1COP(=S)([O-])OC1CC(OC1CO)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)[S-]) 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)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- ])OC4CC(OC4COP(=S)([O-])OC5CC(OC5COP(=S)([O-])OC6CC(OC6COP(=S)([O-])OC7CC(OC7C OP(=S)([O-])OC8CC(OC8COP(=S)([O-])OC9CC(OC9COP(=O)(OC1CC(OC1COP(=S)([O-])OC1CC (OC1COP(=S)([O-])OC1CC(OC1COP(=S)([O-])OC1CC(OC1COP(=S)([O-])OC1CC(OC1COP(=S)( [O-])OC1CC(OC1COP(=S)([O-])OC1CC(OC1CO)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)[S-]) 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)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 "4483.3104567" } }, 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 } } }