PC-Compounds ::= { { id { id cid 16219761 }, 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 }, element { s, s, s, s, s, s, s, 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, 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, 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, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, 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, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 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, 39, 40, 41, 42, 43, 43, 44, 45, 45, 45, 46, 46, 46, 47, 47, 47, 48, 48, 48, 49, 49, 49, 50, 50, 50, 51, 51, 51, 52, 52, 52, 53, 53, 53, 54, 54, 54, 55, 55, 55, 56, 56, 56, 57, 57, 57, 58, 58, 58, 59, 59, 59, 60, 60, 60, 61, 61, 61, 62, 62, 62, 63, 63, 63, 64, 64, 64, 65, 65, 65, 66, 66, 66, 67, 67, 67, 68, 68, 68, 69, 69, 69, 70, 70, 70, 71, 71, 71, 72, 72, 72, 73, 73, 73, 74, 74, 74, 75, 75, 75, 76, 76, 76, 77, 77, 77, 78, 78, 78, 79, 79, 79, 80, 80, 80, 81, 81, 81, 82, 82, 82, 83, 83, 84, 84, 85, 85, 85, 86, 86, 86, 87, 87, 87, 88, 88, 88, 89, 89, 89, 90, 90, 91, 92, 92, 94, 94, 95, 95, 95, 96, 96, 96, 97, 97, 97, 98, 99, 99, 100, 100, 102, 102, 104, 104, 104, 105, 106, 106, 107, 107, 107, 108, 108, 108, 109, 109, 109, 110, 110, 110, 111, 111, 111, 113, 113, 114, 114, 114, 115, 115, 115, 116, 116, 116, 117, 117, 117, 119, 119, 119, 120, 121, 121, 122, 122, 122, 123, 123, 124, 127, 127, 127, 128, 128, 128, 129, 129, 129, 130, 131, 131, 131, 132, 132, 132, 133, 133, 134, 135, 135, 136, 136, 136, 137, 137, 140, 141, 141, 142, 142, 142, 143, 143, 143, 144, 144, 144, 145, 146, 146, 146, 147, 147, 147, 148, 148, 148, 149, 149, 149, 150, 150, 152, 152, 152, 152, 153, 153, 154, 154, 154, 156, 156, 156, 157, 157, 157, 158, 158, 158, 159, 159, 159, 160, 160, 160, 161, 161, 162, 162, 162, 163, 163, 164, 164, 164, 165, 165, 165, 166, 166, 166, 167, 167, 167, 168, 168, 168, 170, 170, 171, 171, 171, 173, 173, 173, 176, 176, 176, 177, 177, 177, 178, 178, 178, 181, 181, 181, 183, 183, 185, 185, 185, 186, 186, 186, 187, 187, 187, 189, 189, 189, 191, 191, 191, 193, 193, 193, 194, 194, 194, 197, 197, 197, 198, 198, 198, 199, 199, 200, 200, 200, 201, 201, 201, 203, 203, 203, 204, 204, 204, 205, 205, 206, 206, 206, 207, 207, 207, 208, 208, 209, 209, 210, 211, 212, 212, 212, 213, 213, 213, 215, 216, 217, 217, 217, 218, 219, 220, 220, 220, 221, 221, 223, 223, 223, 224, 224, 225, 225, 225, 226, 226, 226, 227, 227, 227, 229, 229 }, aid2 { 94, 97, 102, 110, 121, 131, 161, 170, 163, 183, 199, 217, 209, 220, 91, 93, 98, 101, 103, 105, 112, 118, 120, 125, 126, 130, 138, 139, 140, 145, 151, 155, 169, 172, 175, 174, 179, 180, 182, 184, 188, 190, 192, 195, 196, 205, 435, 202, 214, 222, 228, 457, 228, 87, 90, 91, 92, 98, 239, 93, 96, 240, 99, 101, 250, 100, 105, 253, 103, 104, 254, 106, 120, 267, 112, 117, 270, 113, 130, 281, 118, 119, 284, 124, 126, 290, 123, 294, 295, 125, 136, 296, 134, 140, 307, 135, 145, 309, 138, 143, 312, 139, 147, 317, 141, 328, 329, 151, 154, 335, 150, 182, 349, 155, 160, 352, 156, 172, 359, 157, 169, 361, 153, 190, 363, 164, 179, 373, 162, 192, 376, 171, 184, 381, 175, 186, 382, 180, 185, 383, 181, 188, 387, 173, 196, 388, 187, 195, 400, 201, 202, 416, 174, 419, 420, 210, 218, 429, 211, 219, 431, 208, 433, 434, 214, 221, 436, 215, 218, 216, 219, 222, 223, 446, 229, 458, 459, 88, 93, 230, 89, 231, 232, 90, 233, 234, 235, 236, 92, 94, 237, 95, 238, 241, 242, 243, 101, 244, 245, 99, 246, 247, 100, 103, 248, 102, 249, 251, 252, 107, 112, 255, 106, 108, 256, 111, 257, 258, 109, 259, 260, 115, 116, 261, 113, 262, 263, 114, 264, 265, 118, 266, 123, 268, 269, 271, 272, 273, 274, 275, 276, 121, 125, 277, 122, 126, 278, 124, 128, 279, 127, 129, 280, 282, 283, 133, 132, 285, 286, 287, 288, 289, 291, 292, 293, 134, 135, 297, 298, 299, 300, 301, 302, 303, 137, 138, 304, 139, 305, 306, 144, 308, 141, 142, 310, 146, 148, 311, 149, 151, 313, 314, 315, 316, 150, 158, 318, 319, 155, 159, 320, 321, 322, 323, 174, 324, 325, 326, 327, 153, 166, 178, 330, 175, 331, 168, 169, 332, 161, 180, 333, 165, 172, 334, 336, 337, 338, 339, 340, 341, 167, 184, 343, 189, 342, 163, 179, 344, 191, 345, 170, 188, 346, 176, 347, 348, 197, 350, 351, 177, 353, 354, 199, 355, 356, 357, 358, 182, 193, 360, 183, 195, 362, 194, 364, 365, 203, 204, 369, 366, 367, 368, 196, 198, 370, 371, 372, 192, 207, 374, 200, 202, 375, 190, 205, 377, 378, 379, 380, 384, 385, 386, 209, 389, 390, 208, 391, 392, 393, 394, 395, 210, 396, 397, 398, 399, 211, 401, 402, 206, 214, 403, 404, 405, 406, 407, 408, 409, 410, 411, 212, 213, 412, 413, 414, 415, 417, 418, 421, 422, 215, 216, 423, 424, 425, 426, 427, 428, 430, 432, 437, 438, 439, 440, 441, 442, 443, 444, 222, 224, 225, 228, 445, 447, 448, 226, 449, 450, 227, 451, 452, 229, 453, 454, 455, 456 }, order { single, single, single, single, single, single, single, single, single, single, single, single, single, single, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, double, single, single, double, double, double, 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, 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, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, 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, single, single, single, 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, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, 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, 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, single, single, single, single, single, single, single, single, single } }, stereo { tetrahedral { center 87, above 45, top 88, bottom 93, below 230, parity clockwise, type tetrahedral }, tetrahedral { center 92, above 46, top 94, bottom 91, below 237, parity counterclockwise, type tetrahedral }, tetrahedral { center 94, above 1, top 92, bottom 95, below 238, parity any, type tetrahedral }, tetrahedral { center 99, above 48, top 97, bottom 103, below 248, parity clockwise, type tetrahedral }, tetrahedral { center 100, above 49, top 102, bottom 98, below 249, parity counterclockwise, type tetrahedral }, tetrahedral { center 104, above 50, top 112, bottom 107, below 255, parity counterclockwise, type tetrahedral }, tetrahedral { center 106, above 51, top 108, bottom 105, below 256, parity counterclockwise, type tetrahedral }, tetrahedral { center 113, above 53, top 110, bottom 118, below 266, parity clockwise, type tetrahedral }, tetrahedral { center 117, above 52, top 125, bottom 121, below 277, parity counterclockwise, type tetrahedral }, tetrahedral { center 119, above 54, top 122, bottom 126, below 278, parity clockwise, type tetrahedral }, tetrahedral { center 121, above 3, top 117, bottom 128, below 279, parity any, type tetrahedral }, tetrahedral { center 122, above 119, top 129, bottom 127, below 280, parity counterclockwise, type tetrahedral }, tetrahedral { center 135, above 59, top 131, bottom 138, below 304, parity clockwise, type tetrahedral }, tetrahedral { center 141, above 62, top 142, bottom 140, below 310, parity counterclockwise, type tetrahedral }, tetrahedral { center 142, above 141, top 148, bottom 146, below 311, parity counterclockwise, type tetrahedral }, tetrahedral { center 143, above 60, top 149, bottom 151, below 313, parity clockwise, type tetrahedral }, tetrahedral { center 147, above 61, top 159, bottom 155, below 320, parity counterclockwise, type tetrahedral }, tetrahedral { center 152, above 153, top 178, bottom 166, below 330, parity counterclockwise, type tetrahedral }, tetrahedral { center 153, above 68, top 152, bottom 175, below 331, parity clockwise, type tetrahedral }, tetrahedral { center 154, above 63, top 168, bottom 169, below 332, parity clockwise, type tetrahedral }, tetrahedral { center 156, above 66, top 161, bottom 180, below 333, parity clockwise, type tetrahedral }, tetrahedral { center 157, above 67, top 165, bottom 172, below 334, parity clockwise, type tetrahedral }, tetrahedral { center 160, above 65, top 167, bottom 184, below 343, parity clockwise, type tetrahedral }, tetrahedral { center 161, above 4, top 156, bottom 189, below 342, parity any, type tetrahedral }, tetrahedral { center 162, above 70, top 163, bottom 179, below 344, parity clockwise, type tetrahedral }, tetrahedral { center 163, above 5, top 162, bottom 191, below 345, parity any, type tetrahedral }, tetrahedral { center 164, above 69, top 170, bottom 188, below 346, parity clockwise, type tetrahedral }, tetrahedral { center 171, above 71, top 193, bottom 182, below 360, parity counterclockwise, type tetrahedral }, tetrahedral { center 173, above 75, top 183, bottom 195, below 362, parity clockwise, type tetrahedral }, tetrahedral { center 181, above 74, top 198, bottom 196, below 370, parity counterclockwise, type tetrahedral }, tetrahedral { center 185, above 73, top 207, bottom 192, below 374, parity counterclockwise, type tetrahedral }, tetrahedral { center 186, above 72, top 200, bottom 202, below 375, parity clockwise, type tetrahedral }, tetrahedral { center 187, above 76, top 205, bottom 190, below 377, parity counterclockwise, type tetrahedral }, tetrahedral { center 201, above 77, top 206, bottom 214, below 403, parity clockwise, type tetrahedral }, tetrahedral { center 223, above 85, top 225, bottom 228, below 445, parity clockwise, type tetrahedral }, planar { left 134, ltop 58, lbottom 130, right 137, rtop 308, rbottom 144, parity opposite, type planar } }, 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 }, conformers { { x { { 430966, 10, -4 }, { 471505, 10, -4 }, { 377523, 10, -4 }, { 254042, 10, -4 }, { 22062, 10, -3 }, { 338334, 10, -4 }, { 386141, 10, -4 }, { 42767, 10, -3 }, { 420902, 10, -4 }, { 454807, 10, -4 }, { 39615, 10, -3 }, { 395348, 10, -4 }, { 480276, 10, -4 }, { 405095, 10, -4 }, { 481219, 10, -4 }, { 496174, 10, -4 }, { 403545, 10, -4 }, { 519892, 10, -4 }, { 482889, 10, -4 }, { 37015, 10, -3 }, { 403461, 10, -4 }, { 513627, 10, -4 }, { 342715, 10, -4 }, { 341198, 10, -4 }, { 403377, 10, -4 }, { 308112, 10, -4 }, { 292521, 10, -4 }, { 143312, 10, -4 }, { 321333, 10, -4 }, { 222937, 10, -4 }, { 282957, 10, -4 }, { 368484, 10, -4 }, { 394675, 10, -4 }, { 230846, 10, -4 }, { 170632, 10, -4 }, { 257749, 10, -4 }, { 196613, 10, -4 }, { 195279, 10, -4 }, { 170632, 10, -4 }, { 115991, 10, -4 }, { 88671, 10, -4 }, { 6135, 10, -3 }, { 25369, 10, -4 }, { 3403, 10, -3 }, { 435162, 10, -4 }, { 450444, 10, -4 }, { 408758, 10, -4 }, { 412752, 10, -4 }, { 469799, 10, -4 }, { 403882, 10, -4 }, { 491811, 10, -4 }, { 386393, 10, -4 }, { 495223, 10, -4 }, { 500537, 10, -4 }, { 515529, 10, -4 }, { 360708, 10, -4 }, { 403629, 10, -4 }, { 496929, 10, -4 }, { 351501, 10, -4 }, { 353924, 10, -4 }, { 420781, 10, -4 }, { 491615, 10, -4 }, { 327836, 10, -4 }, { 359951, 10, -4 }, { 41191, 10, -3 }, { 27916, 10, -3 }, { 305248, 10, -4 }, { 160632, 10, -4 }, { 232032, 10, -4 }, { 246088, 10, -4 }, { 385889, 10, -4 }, { 133312, 10, -4 }, { 271487, 10, -4 }, { 218698, 10, -4 }, { 202622, 10, -4 }, { 187953, 10, -4 }, { 105991, 10, -4 }, { 327201, 10, -4 }, { 202295, 10, -4 }, { 114946, 10, -4 }, { 297614, 10, -4 }, { 78671, 10, -4 }, { 217969, 10, -4 }, { 100164, 10, -4 }, { 5135, 10, -3 }, { 25369, 10, -4 }, { 425525, 10, -4 }, { 425114, 10, -4 }, { 434427, 10, -4 }, { 440625, 10, -4 }, { 437669, 10, -4 }, { 440766, 10, -4 }, { 418395, 10, -4 }, { 433636, 10, -4 }, { 425018, 10, -4 }, { 401627, 10, -4 }, { 421286, 10, -4 }, { 457464, 10, -4 }, { 412668, 10, -4 }, { 467141, 10, -4 }, { 404134, 10, -4 }, { 474162, 10, -4 }, { 403966, 10, -4 }, { 39518, 10, -3 }, { 479476, 10, -4 }, { 482133, 10, -4 }, { 386562, 10, -4 }, { 475113, 10, -4 }, { 47777, 10, -3 }, { 478525, 10, -4 }, { 386646, 10, -4 }, { 395095, 10, -4 }, { 488203, 10, -4 }, { 378028, 10, -4 }, { 470749, 10, -4 }, { 487447, 10, -4 }, { 386309, 10, -4 }, { 49086, 10, -3 }, { 503194, 10, -4 }, { 498831, 10, -4 }, { 377607, 10, -4 }, { 493239, 10, -4 }, { 369326, 10, -4 }, { 508508, 10, -4 }, { 394927, 10, -4 }, { 512872, 10, -4 }, { 486218, 10, -4 }, { 371244, 10, -4 }, { 484146, 10, -4 }, { 492566, 10, -4 }, { 368821, 10, -4 }, { 488876, 10, -4 }, { 511166, 10, -4 }, { 499586, 10, -4 }, { 360203, 10, -4 }, { 412247, 10, -4 }, { 509264, 10, -4 }, { 360287, 10, -4 }, { 412163, 10, -4 }, { 50395, 10, -3 }, { 501293, 10, -4 }, { 508313, 10, -4 }, { 344062, 10, -4 }, { 511921, 10, -4 }, { 351417, 10, -4 }, { 505656, 10, -4 }, { 420697, 10, -4 }, { 517991, 10, -4 }, { 340563, 10, -4 }, { 360035, 10, -4 }, { 337699, 10, -4 }, { 151972, 10, -4 }, { 151972, 10, -4 }, { 321473, 10, -4 }, { 411995, 10, -4 }, { 270542, 10, -4 }, { 295385, 10, -4 }, { 512677, 10, -4 }, { 429314, 10, -4 }, { 403208, 10, -4 }, { 263554, 10, -4 }, { 237591, 10, -4 }, { 22992, 10, -3 }, { 236242, 10, -4 }, { 291886, 10, -4 }, { 143312, 10, -4 }, { 403124, 10, -4 }, { 324972, 10, -4 }, { 311611, 10, -4 }, { 244186, 10, -4 }, { 377271, 10, -4 }, { 289022, 10, -4 }, { 205273, 10, -4 }, { 3307, 10, -2 }, { 143312, 10, -4 }, { 298249, 10, -4 }, { 411742, 10, -4 }, { 160632, 10, -4 }, { 232518, 10, -4 }, { 273405, 10, -4 }, { 21017, 10, -3 }, { 368569, 10, -4 }, { 21175, 10, -3 }, { 394591, 10, -4 }, { 265228, 10, -4 }, { 124651, 10, -4 }, { 179292, 10, -4 }, { 228081, 10, -4 }, { 268828, 10, -4 }, { 170632, 10, -4 }, { 233606, 10, -4 }, { 256062, 10, -4 }, { 377355, 10, -4 }, { 29475, 10, -3 }, { 196613, 10, -4 }, { 204385, 10, -4 }, { 143312, 10, -4 }, { 203963, 10, -4 }, { 334835, 10, -4 }, { 124651, 10, -4 }, { 97331, 10, -4 }, { 115991, 10, -4 }, { 411658, 10, -4 }, { 420444, 10, -4 }, { 179292, 10, -4 }, { 97331, 10, -4 }, { 271302, 10, -4 }, { 301113, 10, -4 }, { 386057, 10, -4 }, { 207649, 10, -4 }, { 115991, 10, -4 }, { 88671, 10, -4 }, { 105991, 10, -4 }, { 88671, 10, -4 }, { 217336, 10, -4 }, { 106856, 10, -4 }, { 348196, 10, -4 }, { 208673, 10, -4 }, { 105164, 10, -4 }, { 394843, 10, -4 }, { 7001, 10, -3 }, { 6135, 10, -3 }, { 4269, 10, -3 }, { 7001, 10, -3 }, { 4269, 10, -3 }, { 3403, 10, -3 }, { 3403, 10, -3 }, { 3403, 10, -3 }, { 25369, 10, -4 }, { 41762, 10, -3 }, { 418981, 10, -4 }, { 423569, 10, -4 }, { 431661, 10, -4 }, { 439654, 10, -4 }, { 445039, 10, -4 }, { 445418, 10, -4 }, { 445028, 10, -4 }, { 427888, 10, -4 }, { 452091, 10, -4 }, { 407203, 10, -4 }, { 421873, 10, -4 }, { 419675, 10, -4 }, { 428163, 10, -4 }, { 395986, 10, -4 }, { 398114, 10, -4 }, { 42434, 10, -3 }, { 416865, 10, -4 }, { 407325, 10, -4 }, { 462789, 10, -4 }, { 418147, 10, -4 }, { 479762, 10, -4 }, { 477754, 10, -4 }, { 465446, 10, -4 }, { 409225, 10, -4 }, { 395232, 10, -4 }, { 48378, 10, -3 }, { 384392, 10, -4 }, { 380465, 10, -4 }, { 469512, 10, -4 }, { 47152, 10, -3 }, { 47177, 10, -3 }, { 473421, 10, -4 }, { 481105, 10, -4 }, { 388815, 10, -4 }, { 392742, 10, -4 }, { 494203, 10, -4 }, { 493458, 10, -4 }, { 374083, 10, -4 }, { 382053, 10, -4 }, { 38105, 10, -3 }, { 475165, 10, -4 }, { 466397, 10, -4 }, { 466334, 10, -4 }, { 489009, 10, -4 }, { 493447, 10, -4 }, { 485885, 10, -4 }, { 380966, 10, -4 }, { 496197, 10, -4 }, { 371764, 10, -4 }, { 494272, 10, -4 }, { 501223, 10, -4 }, { 373271, 10, -4 }, { 365301, 10, -4 }, { 50489, 10, -3 }, { 480618, 10, -4 }, { 482626, 10, -4 }, { 366461, 10, -4 }, { 367298, 10, -4 }, { 376026, 10, -4 }, { 521529, 10, -4 }, { 481566, 10, -4 }, { 478508, 10, -4 }, { 486726, 10, -4 }, { 355314, 10, -4 }, { 36076, 10, -3 }, { 406774, 10, -4 }, { 372766, 10, -4 }, { 364796, 10, -4 }, { 494853, 10, -4 }, { 490523, 10, -4 }, { 482898, 10, -4 }, { 517166, 10, -4 }, { 506813, 10, -4 }, { 35486, 10, -3 }, { 414417, 10, -4 }, { 418344, 10, -4 }, { 490929, 10, -4 }, { 513617, 10, -4 }, { 346158, 10, -4 }, { 49694, 10, -3 }, { 509961, 10, -4 }, { 356094, 10, -4 }, { 348007, 10, -4 }, { 517898, 10, -4 }, { 513568, 10, -4 }, { 505944, 10, -4 }, { 426176, 10, -4 }, { 500056, 10, -4 }, { 502064, 10, -4 }, { 426092, 10, -4 }, { 519553, 10, -4 }, { 523991, 10, -4 }, { 516429, 10, -4 }, { 346659, 10, -4 }, { 34051, 10, -3 }, { 362204, 10, -4 }, { 366131, 10, -4 }, { 489968, 10, -4 }, { 487263, 10, -4 }, { 157341, 10, -4 }, { 151972, 10, -4 }, { 319304, 10, -4 }, { 271361, 10, -4 }, { 29933, 10, -3 }, { 323053, 10, -4 }, { 508261, 10, -4 }, { 517029, 10, -4 }, { 517092, 10, -4 }, { 43246, 10, -3 }, { 434658, 10, -4 }, { 426169, 10, -4 }, { 261424, 10, -4 }, { 408552, 10, -4 }, { 244534, 10, -4 }, { 226804, 10, -4 }, { 243629, 10, -4 }, { 287861, 10, -4 }, { 286543, 10, -4 }, { 354556, 10, -4 }, { 137206, 10, -4 }, { 141191, 10, -4 }, { 417254, 10, -4 }, { 400955, 10, -4 }, { 397028, 10, -4 }, { 318876, 10, -4 }, { 325024, 10, -4 }, { 245375, 10, -4 }, { 246664, 10, -4 }, { 279108, 10, -4 }, { 382666, 10, -4 }, { 307417, 10, -4 }, { 199517, 10, -4 }, { 166001, 10, -4 }, { 302274, 10, -4 }, { 303592, 10, -4 }, { 163732, 10, -4 }, { 166001, 10, -4 }, { 157532, 10, -4 }, { 406347, 10, -4 }, { 21161, 10, -3 }, { 20603, 10, -3 }, { 215108, 10, -4 }, { 225947, 10, -4 }, { 271428, 10, -4 }, { 130021, 10, -4 }, { 244174, 10, -4 }, { 184662, 10, -4 }, { 274095, 10, -4 }, { 272097, 10, -4 }, { 26356, 10, -3 }, { 385836, 10, -4 }, { 138681, 10, -4 }, { 277111, 10, -4 }, { 227843, 10, -4 }, { 235892, 10, -4 }, { 23937, 10, -3 }, { 217498, 10, -4 }, { 19643, 10, -3 }, { 37124, 10, -3 }, { 375283, 10, -4 }, { 290725, 10, -4 }, { 289407, 10, -4 }, { 149512, 10, -4 }, { 143312, 10, -4 }, { 137112, 10, -4 }, { 198684, 10, -4 }, { 199844, 10, -4 }, { 340931, 10, -4 }, { 334782, 10, -4 }, { 187953, 10, -4 }, { 126772, 10, -4 }, { 130757, 10, -4 }, { 1027, 10, -2 }, { 417858, 10, -4 }, { 411606, 10, -4 }, { 405458, 10, -4 }, { 417389, 10, -4 }, { 425839, 10, -4 }, { 423499, 10, -4 }, { 181413, 10, -4 }, { 185398, 10, -4 }, { 91962, 10, -4 }, { 266377, 10, -4 }, { 275069, 10, -4 }, { 276227, 10, -4 }, { 11136, 10, -3 }, { 305138, 10, -4 }, { 306456, 10, -4 }, { 331146, 10, -4 }, { 321087, 10, -4 }, { 392171, 10, -4 }, { 388128, 10, -4 }, { 91771, 10, -4 }, { 83301, 10, -4 }, { 85571, 10, -4 }, { 109091, 10, -4 }, { 11136, 10, -3 }, { 102891, 10, -4 }, { 196107, 10, -4 }, { 222111, 10, -4 }, { 119553, 10, -4 }, { 105567, 10, -4 }, { 301559, 10, -4 }, { 2915, 10, -2 }, { 170632, 10, -4 }, { 8404, 10, -3 }, { 347171, 10, -4 }, { 354311, 10, -4 }, { 349221, 10, -4 }, { 207135, 10, -4 }, { 102643, 10, -4 }, { 391788, 10, -4 }, { 400238, 10, -4 }, { 397898, 10, -4 }, { 48059, 10, -4 }, { 5672, 10, -3 }, { 64641, 10, -4 }, { 7538, 10, -3 }, { 48796, 10, -4 }, { 4481, 10, -3 }, { 27924, 10, -4 }, { 31909, 10, -4 }, { 40135, 10, -4 }, { 3615, 10, -3 }, { 19264, 10, -4 }, { 23249, 10, -4 }, { 2, 10, 0 }, { 2, 10, 0 }, { 30739, 10, -4 } }, y { { -1583, 10, -4 }, { -37076, 10, -4 }, { 55558, 10, -4 }, { 20276, 10, -4 }, { -21891, 10, -4 }, { 5188, 10, -4 }, { 6063, 10, -3 }, { -27785, 10, -4 }, { -23563, 10, -4 }, { -32474, 10, -4 }, { -132, 10, -2 }, { -4294, 10, -4 }, { -18122, 10, -4 }, { 25789, 10, -4 }, { -29381, 10, -4 }, { -12757, 10, -4 }, { 50777, 10, -4 }, { -2448, 10, -3 }, { -60959, 10, -4 }, { 43759, 10, -4 }, { 60776, 10, -4 }, { -79804, 10, -4 }, { 75266, 10, -4 }, { 2227, 10, -3 }, { 70776, 10, -4 }, { 36598, 10, -4 }, { 4087, 10, -4 }, { -27004, 10, -4 }, { 46874, 10, -4 }, { -9407, 10, -4 }, { -2504, 10, -4 }, { 100483, 10, -4 }, { 75703, 10, -4 }, { 26772, 10, -4 }, { -2004, 10, -4 }, { -31012, 10, -4 }, { -27004, 10, -4 }, { 10364, 10, -4 }, { -32004, 10, -4 }, { -2004, 10, -4 }, { -27004, 10, -4 }, { -2004, 10, -4 }, { -12004, 10, -4 }, { -27004, 10, -4 }, { -37586, 10, -4 }, { -15712, 10, -4 }, { -35913, 10, -4 }, { -14148, 10, -4 }, { -10674, 10, -4 }, { 10778, 10, -4 }, { 4005, 10, -4 }, { 30631, 10, -4 }, { -488, 10, -2 }, { -29518, 10, -4 }, { -7718, 10, -4 }, { -4586, 10, -4 }, { 40777, 10, -4 }, { -75202, 10, -4 }, { 60339, 10, -4 }, { 37698, 10, -4 }, { 60922, 10, -4 }, { -94483, 10, -4 }, { 33291, 10, -4 }, { 85411, 10, -4 }, { 85848, 10, -4 }, { 15109, 10, -4 }, { 19516, 10, -4 }, { -17004, 10, -4 }, { 3444, 10, -4 }, { -20435, 10, -4 }, { 90629, 10, -4 }, { -12004, 10, -4 }, { -936, 10, -3 }, { 17562, 10, -4 }, { -2995, 10, -4 }, { -12004, 10, -4 }, { -17004, 10, -4 }, { 59741, 10, -4 }, { 3921, 10, -3 }, { -4195, 10, -3 }, { 64702, 10, -4 }, { -12004, 10, -4 }, { 43226, 10, -4 }, { -35368, 10, -4 }, { -17004, 10, -4 }, { 27996, 10, -4 }, { -40255, 10, -4 }, { -50187, 10, -4 }, { -53663, 10, -4 }, { -45891, 10, -4 }, { -27905, 10, -4 }, { -18231, 10, -4 }, { -33244, 10, -4 }, { -1122, 10, -3 }, { -16292, 10, -4 }, { -28902, 10, -4 }, { 924, 10, -4 }, { -22833, 10, -4 }, { -4149, 10, -4 }, { -20314, 10, -4 }, { -19221, 10, -4 }, { -27436, 10, -4 }, { 778, 10, -4 }, { 15705, 10, -4 }, { -8154, 10, -4 }, { 1486, 10, -4 }, { 10632, 10, -4 }, { 8607, 10, -4 }, { 18248, 10, -4 }, { -44197, 10, -4 }, { 633, 10, -4 }, { 25705, 10, -4 }, { -41678, 10, -4 }, { -444, 10, -3 }, { 25369, 10, -4 }, { 20767, 10, -4 }, { 40631, 10, -4 }, { -32038, 10, -4 }, { -19878, 10, -4 }, { -3116, 10, -4 }, { 45558, 10, -4 }, { -18935, 10, -4 }, { 487, 10, -4 }, { -597, 10, -4 }, { 45704, 10, -4 }, { -17359, 10, -4 }, { -11814, 10, -4 }, { 37844, 10, -4 }, { -23097, 10, -4 }, { -5844, 10, -3 }, { 60485, 10, -4 }, { -2173, 10, -4 }, { 9044, 10, -4 }, { -65562, 10, -4 }, { 55412, 10, -4 }, { 4585, 10, -3 }, { -63042, 10, -4 }, { 45412, 10, -4 }, { 55849, 10, -4 }, { -82323, 10, -4 }, { -91964, 10, -4 }, { -99085, 10, -4 }, { 39352, 10, -4 }, { -53402, 10, -4 }, { 70339, 10, -4 }, { -108726, 10, -4 }, { 70922, 10, -4 }, { -96566, 10, -4 }, { 4872, 10, -3 }, { 75411, 10, -4 }, { 31637, 10, -4 }, { -2004, 10, -4 }, { -12004, 10, -4 }, { 25577, 10, -4 }, { 75849, 10, -4 }, { 10036, 10, -4 }, { 2117, 10, -3 }, { -115847, 10, -4 }, { 75994, 10, -4 }, { 90775, 10, -4 }, { 1719, 10, -3 }, { -15162, 10, -4 }, { -2058, 10, -3 }, { 12515, 10, -4 }, { 30537, 10, -4 }, { 2996, 10, -4 }, { 100775, 10, -4 }, { 16209, 10, -4 }, { 2723, 10, -3 }, { 18589, 10, -4 }, { 85557, 10, -4 }, { 13455, 10, -4 }, { -12004, 10, -4 }, { 50373, 10, -4 }, { -17004, 10, -4 }, { 38252, 10, -4 }, { 105848, 10, -4 }, { 2996, 10, -4 }, { -6544, 10, -4 }, { 455, 10, -4 }, { 13628, 10, -4 }, { 90484, 10, -4 }, { -18805, 10, -4 }, { 85702, 10, -4 }, { -17159, 10, -4 }, { -17004, 10, -4 }, { -17004, 10, -4 }, { 17162, 10, -4 }, { 25686, 10, -4 }, { -12004, 10, -4 }, { -29876, 10, -4 }, { -21156, 10, -4 }, { 75557, 10, -4 }, { 47619, 10, -4 }, { -17004, 10, -4 }, { 623, 10, -3 }, { 12996, 10, -4 }, { 21468, 10, -4 }, { 14555, 10, -4 }, { -27004, 10, -4 }, { -12004, 10, -4 }, { -12004, 10, -4 }, { 115847, 10, -4 }, { 100921, 10, -4 }, { -27004, 10, -4 }, { -2004, 10, -4 }, { -25102, 10, -4 }, { 55334, 10, -4 }, { 7063, 10, -3 }, { 30764, 10, -4 }, { -32004, 10, -4 }, { 2996, 10, -4 }, { 2996, 10, -4 }, { -17004, 10, -4 }, { 33246, 10, -4 }, { -27937, 10, -4 }, { 3534, 10, -4 }, { 46912, 10, -4 }, { -44029, 10, -4 }, { 55704, 10, -4 }, { -17004, 10, -4 }, { -12004, 10, -4 }, { -12004, 10, -4 }, { -27004, 10, -4 }, { -2004, 10, -4 }, { 2996, 10, -4 }, { 12996, 10, -4 }, { -17004, 10, -4 }, { 17996, 10, -4 }, { -43378, 10, -4 }, { -49281, 10, -4 }, { -56191, 10, -4 }, { -59212, 10, -4 }, { -56998, 10, -4 }, { -50244, 10, -4 }, { -41958, 10, -4 }, { -22734, 10, -4 }, { -8895, 10, -4 }, { -9735, 10, -4 }, { -41915, 10, -4 }, { -1095, 10, -3 }, { -19438, 10, -4 }, { -21636, 10, -4 }, { -26329, 10, -4 }, { -3401, 10, -3 }, { 6319, 10, -4 }, { 5271, 10, -4 }, { -7294, 10, -4 }, { -15899, 10, -4 }, { -17203, 10, -4 }, { -30096, 10, -4 }, { -22382, 10, -4 }, { -6258, 10, -4 }, { 13923, 10, -4 }, { 9505, 10, -4 }, { 7463, 10, -4 }, { 1644, 10, -3 }, { 9504, 10, -4 }, { 11268, 10, -4 }, { 3554, 10, -4 }, { 16686, 10, -4 }, { -47717, 10, -4 }, { -49835, 10, -4 }, { -5175, 10, -4 }, { 1761, 10, -4 }, { -40116, 10, -4 }, { 9982, 10, -4 }, { -9223, 10, -4 }, { -9156, 10, -4 }, { 27486, 10, -4 }, { 29722, 10, -4 }, { 29785, 10, -4 }, { 21017, 10, -4 }, { 14767, 10, -4 }, { 22329, 10, -4 }, { 26767, 10, -4 }, { 37486, 10, -4 }, { -24704, 10, -4 }, { 4763, 10, -3 }, { -25049, 10, -4 }, { -47238, 10, -4 }, { 527, 10, -3 }, { 5203, 10, -4 }, { -33934, 10, -4 }, { -9154, 10, -4 }, { -16867, 10, -4 }, { 41789, 10, -4 }, { 33061, 10, -4 }, { 33899, 10, -4 }, { -6156, 10, -4 }, { -17459, 10, -4 }, { -25677, 10, -4 }, { -28734, 10, -4 }, { -1531, 10, -4 }, { -10786, 10, -4 }, { 35434, 10, -4 }, { 65268, 10, -4 }, { 652, 10, -2 }, { -3821, 10, -4 }, { 3804, 10, -4 }, { -526, 10, -4 }, { 10606, 10, -4 }, { 13459, 10, -4 }, { 52267, 10, -4 }, { 40042, 10, -4 }, { 46978, 10, -4 }, { -76764, 10, -4 }, { -67458, 10, -4 }, { 57194, 10, -4 }, { -87549, 10, -4 }, { -93108, 10, -4 }, { 3189, 10, -3 }, { 44134, 10, -4 }, { -55049, 10, -4 }, { -47425, 10, -4 }, { -51754, 10, -4 }, { 57867, 10, -4 }, { -106066, 10, -4 }, { -113779, 10, -4 }, { 67867, 10, -4 }, { -102566, 10, -4 }, { -95004, 10, -4 }, { -90566, 10, -4 }, { 49847, 10, -4 }, { 54919, 10, -4 }, { 69603, 10, -4 }, { 76539, 10, -4 }, { -10046, 10, -3 }, { -90068, 10, -4 }, { -5104, 10, -4 }, { -18204, 10, -4 }, { 31385, 10, -4 }, { 16182, 10, -4 }, { 25952, 10, -4 }, { 37236, 10, -4 }, { -1202, 10, -2 }, { -120262, 10, -4 }, { -111495, 10, -4 }, { 70651, 10, -4 }, { 79139, 10, -4 }, { 81337, 10, -4 }, { 23012, 10, -4 }, { 9392, 10, -3 }, { -10258, 10, -4 }, { -2594, 10, -3 }, { 8309, 10, -4 }, { 35253, 10, -4 }, { 27392, 10, -4 }, { 88466, 10, -4 }, { 4072, 10, -4 }, { -283, 10, -3 }, { 88993, 10, -4 }, { 106583, 10, -4 }, { 99647, 10, -4 }, { 15081, 10, -4 }, { 10009, 10, -4 }, { 24674, 10, -4 }, { 12906, 10, -4 }, { 21309, 10, -4 }, { 82502, 10, -4 }, { 13708, 10, -4 }, { -9702, 10, -4 }, { -20104, 10, -4 }, { 33536, 10, -4 }, { 41397, 10, -4 }, { -2374, 10, -4 }, { 6096, 10, -4 }, { 8365, 10, -4 }, { 108902, 10, -4 }, { 19659, 10, -4 }, { -21195, 10, -4 }, { -13593, 10, -4 }, { 4633, 10, -4 }, { -17231, 10, -4 }, { -20104, 10, -4 }, { -26332, 10, -4 }, { -20104, 10, -4 }, { 22417, 10, -4 }, { 30954, 10, -4 }, { 28956, 10, -4 }, { 96829, 10, -4 }, { -8904, 10, -4 }, { -1197, 10, -3 }, { -32161, 10, -4 }, { -35639, 10, -4 }, { -2759, 10, -3 }, { 23645, 10, -4 }, { -3296, 10, -4 }, { 76582, 10, -4 }, { 69713, 10, -4 }, { 52335, 10, -4 }, { 44474, 10, -4 }, { 12996, 10, -4 }, { 19196, 10, -4 }, { 12996, 10, -4 }, { 2472, 10, -3 }, { 16834, 10, -4 }, { 15683, 10, -4 }, { 20755, 10, -4 }, { -5804, 10, -4 }, { -3283, 10, -3 }, { -25928, 10, -4 }, { -8904, 10, -4 }, { 115899, 10, -4 }, { 122047, 10, -4 }, { 115795, 10, -4 }, { 95525, 10, -4 }, { 97866, 10, -4 }, { 106316, 10, -4 }, { -3283, 10, -3 }, { -25928, 10, -4 }, { -5104, 10, -4 }, { -28868, 10, -4 }, { -30027, 10, -4 }, { -21336, 10, -4 }, { -20104, 10, -4 }, { 50618, 10, -4 }, { 58479, 10, -4 }, { 64524, 10, -4 }, { 60766, 10, -4 }, { 69605, 10, -4 }, { 76474, 10, -4 }, { 8365, 10, -4 }, { 6096, 10, -4 }, { -2374, 10, -4 }, { -2374, 10, -4 }, { 6096, 10, -4 }, { 8365, 10, -4 }, { 39603, 10, -4 }, { 29292, 10, -4 }, { -46098, 10, -4 }, { -21872, 10, -4 }, { 69484, 10, -4 }, { 65727, 10, -4 }, { -38204, 10, -4 }, { -8904, 10, -4 }, { -2581, 10, -4 }, { 2509, 10, -4 }, { 9649, 10, -4 }, { 52918, 10, -4 }, { -49693, 10, -4 }, { 50308, 10, -4 }, { 52649, 10, -4 }, { 61099, 10, -4 }, { -8904, 10, -4 }, { -20104, 10, -4 }, { -30104, 10, -4 }, { -30104, 10, -4 }, { -3081, 10, -4 }, { 3822, 10, -4 }, { 4072, 10, -4 }, { -283, 10, -3 }, { 11919, 10, -4 }, { 18822, 10, -4 }, { 19072, 10, -4 }, { 1217, 10, -3 }, { -15104, 10, -4 }, { 31096, 10, -4 }, { 31096, 10, -4 } }, style { annotation { aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, aromatic, wedge-down, wedge-down, wavy, wedge-down, wedge-up, wedge-down, wedge-down, wedge-up, wedge-down, wedge-down, wavy, wedge-up, wedge-up, wedge-down, wedge-up, wedge-down, wedge-down, wedge-down, wedge-down, wedge-up, wedge-down, wedge-down, wedge-down, wavy, wedge-down, wavy, wedge-up, wedge-up, wedge-up, wedge-down, wedge-up, wedge-up, wedge-up, wedge-down, aromatic, aromatic, wedge-down }, aid1 { 79, 79, 80, 80, 83, 83, 84, 84, 87, 92, 94, 99, 100, 104, 106, 113, 117, 119, 121, 122, 135, 141, 142, 143, 147, 152, 153, 154, 156, 157, 160, 161, 162, 163, 164, 171, 173, 181, 185, 186, 187, 201, 210, 211, 223 }, aid2 { 210, 218, 211, 219, 215, 218, 216, 219, 230, 46, 95, 103, 98, 50, 108, 53, 52, 278, 128, 129, 138, 62, 148, 60, 159, 178, 68, 63, 66, 67, 167, 189, 344, 191, 346, 193, 195, 198, 207, 72, 76, 77, 215, 216, 85 } } } } } }, 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 { 784, 10, 1 } }, { 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 50 }, { 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 41 }, { 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 67 }, { 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 '00000371F07FFE00700000000000000000000000000162C580000000 0000000000000001E000001E04100800000D28E5D606AF9817C99208A80135F77C0080802DB112 B0015981B8704882781E60D9219440000EB602F041A19D49000E00000000000000000000000000 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 "(2S)-6-amino-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[ [(1R,4S,7R,11R,14S,17R)-7-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(3R,9S, 12S,15S,21S)-21-[[(2R)-6-amino-2-[[(3R,7R,13S)-3-[[(3R,6S,12S,15R)-15-[[(E)-2- [[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]but-2-enoyl]amino]-6-isobutyl-9-met hylene-12-[(1S)-1-methylpropyl]-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyc lohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicy clo[11.3.0]hexadecane-7-carbonyl]amino]hexanoyl]amino]-12-isobutyl-15,22-dimet hyl-9-(2-methylsulfanylethyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-h exazacyclodocosane-3-carbonyl]amino]-4-oxo-butanoyl]amino]-4-methylsulfanyl-bu tanoyl]amino]hexanoyl]amino]-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-3,6, 12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosane-17-ca rbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imida zol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]prop-2-enoylamino]hexanoic acid" }, { 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 "(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2- [[[(1R,4S,7R,11R,14S,17R)-7-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[[(3R, 9S,12S,15S,21S)-21-[[(2R)-6-amino-2-[[[(3R,7R,13S)-3-[[[(3R,6S,12S,15R)-15-[[( E)-2-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-1-oxobut-2-enyl]amino]-12-[ (2S)-butan-2-yl]-9-methylene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7, 10,13-tetrazacyclohexadec-3-yl]-oxomethyl]amino]-4-methyl-2,9,12-trioxo-5-thia -1,8,11-triazabicyclo[11.3.0]hexadecan-7-yl]-oxomethyl]amino]-1-oxohexyl]amino ]-15,22-dimethyl-12-(2-methylpropyl)-9-[2-(methylthio)ethyl]-5,8,11,14,17,20-h exaoxo-1-thia-4,7,10,13,16,19-hexazacyclodocos-3-yl]-oxomethyl]amino]-1,4-diox obutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxohexyl]amino]-14-(1H-imidaz ol-5-ylmethyl)-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22 -pentazabicyclo[9.9.2]docosan-17-yl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]am ino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-met hyl-1-oxobutyl]amino]-1-oxoprop-2-enyl]amino]hexanoic acid" }, { 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 "(2S)-6-amino-2-[2-[[(2S)-2-[[(2S)-2-[ [(2S,3S)-2-[[(2S)-2-[[(1R,4S,7R,11R,14S,17R)-7-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(3R,9S,12S,15S,21S)-21- [[(2R)-6-amino-2-[[(3R,7R,13S)-3-[[(3R,6 S,12S,15R)-15-[[(E)-2-[[(2S,3S)-2-amino -3-methylpentanoyl]amino]but-2-enoyl]amino]-12-[(2S)-butan-2-yl]-9-meth ylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohex adecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[1 1.3.0]hexadecane-7-carbonyl]amino]hexanoyl]amino]-15,22-dimethyl-12-(2-methylp ropyl)-9-(2-methylsulfanylethyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,1 9-hexazacyclodocosane-3-carbonyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylb utanoyl]amino]hexanoyl]amino]-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimet hyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa ne-17-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(1< I>H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]prop-2-enoylamin o]hexanoic acid" }, { 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 "(2S)-6-amino-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[ [(1R,4S,7R,11R,14S,17R)-7-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(3R,9S, 12S,15S,21S)-21-[[(2R)-6-amino-2-[[(3R,7R,13S)-3-[[(3R,6S,12S,15R)-15-[[(E)-2- [[(2S,3S)-2-amino-3-methylpentanoyl]amino]but-2-enoyl]amino]-12-[(2S)-butan-2- yl]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetra zacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triaz abicyclo[11.3.0]hexadecane-7-carbonyl]amino]hexanoyl]amino]-15,22-dimethyl-12- (2-methylpropyl)-9-(2-methylsulfanylethyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7, 10,13,16,19-hexazacyclodocosane-3-carbonyl]amino]-4-oxobutanoyl]amino]-4-methy lsulfanylbutanoyl]amino]hexanoyl]amino]-14-(1H-imidazol-5-ylmethyl)-4,8,20-tri methyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]doc osane-17-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3- (1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]prop-2-enoylamino]he xanoic acid" }, { 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 "(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2- [[(1R,4S,7R,11R,14S,17R)-7-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(3R, 9S,12S,15S,21S)-21-[[(2R)-6-azanyl-2-[[(3R,7R,13S)-3-[[(3R,6S,12S,15R)-15-[[(E )-2-[[(2S,3S)-2-azanyl-3-methyl-pentanoyl]amino]but-2-enoyl]amino]-12-[(2S)-bu tan-2-yl]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetrakis(oxidanylidene)-1 -thia-4,7,10,13-tetrazacyclohexadec-3-yl]carbonylamino]-4-methyl-2,9,12-tris(o xidanylidene)-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecan-7-yl]carbonylamino] hexanoyl]amino]-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-5 ,8,11,14,17,20-hexakis(oxidanylidene)-1-thia-4,7,10,13,16,19-hexazacyclodocos- 3-yl]carbonylamino]-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl] amino]hexanoyl]amino]-14-(1H-imidazol-5-ylmethyl)-4,8,20-trimethyl-3,6,12,15,2 1-pentakis(oxidanylidene)-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosa n-17-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-3-methyl-pentanoyl]amino]-3 -(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]prop-2-enoylamino] hexanoic acid" }, { 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 "(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2- [[(1R,4S,7R,11R,14S,17R)-7-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(3R,9S ,12S,15S,21S)-21-[[(2R)-6-amino-2-[[(3R,7R,13S)-3-[[(3R,6S,12S,15R)-15-[[(E)-2 -[[(2S,3S)-2-amino-3-methyl-pentanoyl]amino]but-2-enoyl]amino]-6-isobutyl-5,8, 11,14-tetraketo-9-methylene-12-[(1S)-1-methylpropyl]-1-thia-4,7,10,13-tetrazac yclohexadecane-3-carbonyl]amino]-2,9,12-triketo-4-methyl-5-thia-1,8,11-triazab icyclo[11.3.0]hexadecane-7-carbonyl]amino]hexanoyl]amino]-12-isobutyl-5,8,11,1 4,17,20-hexaketo-15,22-dimethyl-9-[2-(methylthio)ethyl]-1-thia-4,7,10,13,16,19 -hexazacyclodocosane-3-carbonyl]amino]-4-keto-butanoyl]amino]-4-(methylthio)bu tanoyl]amino]hexanoyl]amino]-14-(1H-imidazol-5-ylmethyl)-3,6,12,15,21-pentaket o-4,8,20-trimethyl-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosane-17-c arbonyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imid azol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]acryloyl]amino]hexanoic acid" }, { urn { label "InChI", name "Standard", datatype string, version "1.0.6", software "InChI", source "iupac.org", release "2021.05.07" }, value sval "InChI=1S/C143H230N42O37S7/c1-24-69(11)105(148)135(213)162- 82(27-4)118(196)174-94-58-225-59-95(175-123(201)89(48-67(7)8)169-115(193)74(16 )158-138(216)107(70(12)25-2)180-132(94)210)133(211)184-112-79(21)229-61-96(160 -104(190)56-152-134(212)100-38-34-44-185(100)142(112)220)128(206)164-84(36-29- 32-42-145)120(198)182-109-76(18)226-60-97(161-103(189)55-151-117(195)85(39-45- 223-22)165-122(200)88(47-66(5)6)168-113(191)72(14)156-102(188)54-153-136(109)2 14)129(207)171-92(51-101(147)187)125(203)166-86(40-46-224-23)119(197)163-83(35 -28-31-41-144)121(199)183-110-77(19)228-63-99-130(208)170-90(49-80-52-149-64-1 54-80)124(202)176-98(62-227-78(20)111(141(219)177-99)181-116(194)75(17)159-140 (110)218)131(209)173-93(57-186)127(205)179-108(71(13)26-3)139(217)172-91(50-81 -53-150-65-155-81)126(204)178-106(68(9)10)137(215)157-73(15)114(192)167-87(143 (221)222)37-30-33-43-146/h27,52-53,64-72,75-79,83-100,105-112,186H,15-16,24-26 ,28-51,54-63,144-146,148H2,1-14,17-23H3,(H2,147,187)(H,149,154)(H,150,155)(H,1 51,195)(H,152,212)(H,153,214)(H,156,188)(H,157,215)(H,158,216)(H,159,218)(H,16 0,190)(H,161,189)(H,162,213)(H,163,197)(H,164,206)(H,165,200)(H,166,203)(H,167 ,192)(H,168,191)(H,169,193)(H,170,208)(H,171,207)(H,172,217)(H,173,209)(H,174, 196)(H,175,201)(H,176,202)(H,177,219)(H,178,204)(H,179,205)(H,180,210)(H,181,1 94)(H,182,198)(H,183,199)(H,184,211)(H,221,222)/b82-27+/t69-,70-,71-,72-,75-,7 6?,77?,78?,79?,83-,84+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98- ,99-,100-,105-,106-,107-,108-,109+,110-,111-,112-/m0/s1" }, { urn { label "InChIKey", name "Standard", datatype string, version "1.0.6", software "InChI", source "iupac.org", release "2021.05.07" }, value sval "NVNLLIYOARQCIX-ILAIHEEGSA-N" }, { urn { label "Log P", name "XLogP3-AA", datatype double, version "3.0", source "sioc-ccbg.ac.cn", release "2021.05.07" }, value fval { -61, 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 "3352.5485595" }, { urn { label "Molecular Formula", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "C143H230N42O37S7" }, { urn { label "Molecular Weight", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2021.05.07" }, value sval "3354.1" }, { urn { label "SMILES", name "Canonical", datatype string, version "2.3.0", software "OEChem", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "CCC(C)C1C(=O)NC(=C)C(=O)NC(C(=O)NC(CSCC(C(=O)N1)NC(=O)C(=C C)NC(=O)C(C(C)CC)N)C(=O)NC2C(SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)NC(CCCCN)C(=O)N C4C(SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)NC(CC(= O)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC5C(SCC6C(=O)NC(C(=O)NC(CSC(C(C(=O)N6)NC( =O)C(NC5=O)C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC7=CN=CN7)C(=O)NC(C(C)C)C(=O )NC(=C)C(=O)NC(CCCCN)C(=O)O)CC8=CN=CN8)C)C)C)CC(C)C" }, { urn { label "SMILES", name "Isomeric", datatype string, version "2.3.0", software "OEChem", source "OpenEye Scientific Software", release "2021.05.07" }, value sval "CC[C@H](C)[C@H]1C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@@H](CSC[C@ @H](C(=O)N1)NC(=O)/C(=C\C)/NC(=O)[C@H]([C@@H](C)CC)N)C(=O)N[C@H]2C(SC[C@H](NC( =O)CNC(=O)[C@@H]3CCCN3C2=O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]4C(SC[C@H](NC(=O)CNC( =O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)N[C@@H](CC (=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]5C(SC[C@H]6C(=O)N[C@H](C (=O)N[C@@H](CSC([C@@H](C(=O)N6)NC(=O)[C@@H](NC5=O)C)C)C(=O)N[C@@H](CO)C(=O)N[C @@H]([C@@H](C)CC)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](C(C)C)C(=O)NC(=C)C(=O)N[ C@@H](CCCCN)C(=O)O)CC8=CN=CN8)C)C)C)CC(C)C" }, { 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 { 139, 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 "3351.5452046" } }, count { heavy-atom 229, atom-chiral 35, atom-chiral-def 31, atom-chiral-undef 4, bond-chiral 1, bond-chiral-def 1, bond-chiral-undef 0, isotope-atom 0, covalent-unit 1, tautomers -1 } } }