PC-Compound ::= { id { id cid 46882313 }, 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 }, element { 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, 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, 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, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, h, 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, 3, 3, 4, 5, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 21, 22, 23, 24, 25, 26, 27, 28, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 37, 38, 39, 40, 41, 42, 42, 43, 44, 45, 45, 46, 46, 47, 48, 48, 49, 50, 51, 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, 83, 84, 84, 85, 85, 85, 86, 86, 86, 87, 87, 87, 88, 88, 88, 89, 89, 89, 90, 90, 90, 91, 91, 91, 92, 92, 92, 93, 93, 93, 94, 94, 94, 95, 95, 96, 96, 96, 97, 97, 98, 98, 98, 99, 99, 100, 100, 100, 101, 101, 101, 102, 102, 102, 103, 103, 103, 104, 104, 106, 107, 107, 108, 108, 108, 109, 109, 109, 110, 110, 110, 111, 111, 111, 112, 112, 112, 113, 113, 114, 114, 116, 116, 116, 117, 117, 117, 118, 118, 118, 119, 120, 120, 121, 123, 123, 123, 124, 124, 125, 125, 125, 126, 126, 126, 128, 128, 128, 129, 129, 130, 130, 130, 131, 131, 132, 132, 132, 133, 133, 133, 134, 134, 134, 135, 135, 135, 136, 136, 136, 137, 137, 137, 139, 140, 141, 141, 141, 142, 142, 143, 143, 144, 144, 144, 146, 146, 146, 147, 147, 147, 148, 148, 149, 149, 149, 150, 150, 150, 151, 151, 151, 152, 153, 153, 153, 156, 156, 156, 157, 157, 157, 158, 158, 158, 159, 159, 159, 160, 160, 160, 161, 162, 162, 162, 164, 164, 164, 165, 165, 165, 167, 167, 169, 169, 170, 170, 170, 171, 172, 172, 174, 174, 174, 175, 175, 175, 176, 176, 177, 177, 177, 178, 178, 180, 180, 182, 182, 183, 184, 184, 185, 186, 186, 186, 188, 188, 189, 189, 189, 190, 190, 190, 191, 191, 191, 193, 193, 193, 194, 194, 194, 197, 197, 197, 198, 198, 198, 199, 199, 199, 200, 201, 201, 201, 202, 202, 203, 203, 203, 204, 204, 205, 205, 206, 206, 206, 210, 210, 210, 211, 212, 212, 213, 213, 214, 214, 215, 215, 216, 216, 217, 217, 217, 218, 220, 220, 220, 221, 221, 222, 222, 223, 223, 225, 225, 227, 227, 227, 231, 231, 233, 233, 233, 235, 235, 235 }, aid2 { 2, 113, 141, 4, 131, 162, 6, 180, 182, 105, 106, 115, 119, 121, 122, 127, 138, 139, 140, 145, 152, 154, 155, 166, 362, 161, 163, 166, 168, 171, 173, 176, 377, 179, 181, 183, 185, 187, 192, 196, 200, 207, 426, 207, 208, 209, 211, 219, 441, 218, 219, 224, 444, 225, 446, 228, 231, 449, 229, 230, 236, 237, 101, 104, 106, 105, 108, 247, 109, 114, 121, 107, 119, 259, 115, 117, 264, 122, 136, 277, 120, 140, 279, 127, 130, 282, 124, 139, 289, 129, 300, 301, 138, 144, 305, 142, 155, 319, 145, 150, 320, 143, 161, 322, 154, 156, 327, 148, 171, 330, 163, 174, 345, 168, 177, 349, 167, 183, 355, 169, 185, 359, 172, 195, 363, 173, 367, 368, 181, 186, 370, 178, 200, 372, 179, 197, 373, 184, 196, 380, 187, 194, 381, 190, 192, 385, 188, 211, 392, 195, 404, 405, 202, 218, 408, 195, 409, 209, 217, 414, 208, 220, 415, 205, 226, 418, 212, 232, 420, 213, 234, 427, 216, 230, 428, 223, 236, 434, 227, 229, 435, 228, 235, 436, 226, 442, 443, 226, 445, 232, 447, 448, 232, 450, 234, 451, 452, 234, 453, 237, 454, 455, 102, 105, 238, 103, 239, 240, 104, 241, 242, 243, 244, 107, 113, 245, 110, 115, 246, 111, 122, 248, 116, 249, 250, 112, 251, 252, 114, 253, 254, 255, 256, 257, 258, 123, 260, 261, 118, 127, 262, 126, 128, 263, 120, 125, 265, 124, 129, 266, 267, 131, 268, 132, 133, 269, 135, 270, 271, 272, 273, 274, 275, 276, 134, 138, 278, 280, 281, 286, 287, 288, 283, 284, 285, 137, 290, 291, 292, 293, 294, 145, 295, 296, 146, 147, 297, 143, 148, 142, 298, 299, 154, 302, 151, 303, 149, 152, 304, 306, 310, 311, 307, 308, 309, 312, 313, 159, 314, 315, 155, 160, 316, 166, 317, 318, 153, 157, 163, 321, 158, 168, 323, 164, 324, 325, 165, 170, 326, 173, 328, 329, 331, 332, 333, 167, 169, 334, 335, 172, 336, 337, 175, 338, 339, 176, 340, 179, 341, 342, 343, 344, 178, 346, 347, 180, 181, 348, 350, 351, 352, 353, 354, 182, 187, 356, 357, 358, 360, 361, 364, 365, 184, 191, 366, 188, 189, 192, 369, 193, 371, 199, 374, 375, 196, 198, 376, 207, 378, 379, 204, 382, 383, 201, 208, 384, 209, 386, 387, 203, 388, 389, 205, 390, 391, 202, 206, 393, 394, 210, 395, 212, 396, 397, 214, 215, 398, 399, 213, 400, 401, 219, 402, 403, 216, 406, 407, 410, 411, 221, 412, 222, 413, 416, 417, 225, 228, 419, 223, 229, 421, 422, 224, 423, 224, 424, 231, 425, 429, 430, 230, 233, 431, 432, 433, 237, 437, 438, 236, 439, 440 }, order { single, single, single, single, single, single, single, single, single, double, double, double, double, double, double, double, double, double, double, double, double, double, double, single, single, double, double, double, double, double, double, single, single, double, double, double, double, double, double, double, double, single, single, double, double, double, double, single, single, double, double, single, single, single, single, double, single, single, double, double, double, double, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, 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, double, single, single, single, single, double, 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, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, single, 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, double, 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 } }, stereo { tetrahedral { center 101, above 53, top 102, bottom 105, below 238, parity clockwise, type tetrahedral }, tetrahedral { center 107, above 56, top 113, bottom 106, below 245, parity counterclockwise, type tetrahedral }, tetrahedral { center 108, above 54, top 110, bottom 115, below 246, parity clockwise, type tetrahedral }, tetrahedral { center 109, above 55, top 111, bottom 122, below 248, parity clockwise, type tetrahedral }, tetrahedral { center 117, above 57, top 118, bottom 127, below 262, parity clockwise, type tetrahedral }, tetrahedral { center 118, above 117, top 128, bottom 126, below 263, parity counterclockwise, type tetrahedral }, tetrahedral { center 120, above 59, top 125, bottom 119, below 265, parity counterclockwise, type tetrahedral }, tetrahedral { center 124, above 61, top 131, bottom 121, below 268, parity counterclockwise, type tetrahedral }, tetrahedral { center 130, above 60, top 134, bottom 138, below 278, parity clockwise, type tetrahedral }, tetrahedral { center 142, above 64, top 141, bottom 154, below 302, parity clockwise, type tetrahedral }, tetrahedral { center 143, above 66, top 151, bottom 139, below 303, parity counterclockwise, type tetrahedral }, tetrahedral { center 144, above 63, top 149, bottom 152, below 304, parity clockwise, type tetrahedral }, tetrahedral { center 150, above 65, top 160, bottom 155, below 316, parity counterclockwise, type tetrahedral }, tetrahedral { center 153, above 152, top 163, bottom 157, below 321, parity counterclockwise, type tetrahedral }, tetrahedral { center 156, above 67, top 158, bottom 168, below 323, parity clockwise, type tetrahedral }, tetrahedral { center 158, above 156, top 170, bottom 165, below 326, parity counterclockwise, type tetrahedral }, tetrahedral { center 167, above 71, top 176, bottom 161, below 340, parity counterclockwise, type tetrahedral }, tetrahedral { center 169, above 72, top 162, bottom 179, below 341, parity clockwise, type tetrahedral }, tetrahedral { center 174, above 69, top 180, bottom 181, below 348, parity clockwise, type tetrahedral }, tetrahedral { center 177, above 70, top 182, bottom 187, below 356, parity clockwise, type tetrahedral }, tetrahedral { center 184, above 78, top 191, bottom 183, below 366, parity counterclockwise, type tetrahedral }, tetrahedral { center 186, above 75, top 189, bottom 192, below 369, parity clockwise, type tetrahedral }, tetrahedral { center 188, above 81, top 193, bottom 185, below 371, parity counterclockwise, type tetrahedral }, tetrahedral { center 190, above 80, top 198, bottom 196, below 376, parity counterclockwise, type tetrahedral }, tetrahedral { center 194, above 79, top 201, bottom 208, below 384, parity clockwise, type tetrahedral }, tetrahedral { center 202, above 83, top 210, bottom 200, below 395, parity counterclockwise, type tetrahedral }, tetrahedral { center 217, above 85, top 225, bottom 228, below 419, parity clockwise, type tetrahedral }, tetrahedral { center 223, above 91, top 231, bottom 218, below 425, parity counterclockwise, type tetrahedral }, tetrahedral { center 227, above 92, top 233, bottom 230, below 431, parity counterclockwise, type tetrahedral } }, coords { { type { twod, computed, units-unknown }, aid { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370, 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382, 383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396, 397, 398, 399, 400, 401, 402, 403, 404, 405, 406, 407, 408, 409, 410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422, 423, 424, 425, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435, 436, 437, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448, 449, 450, 451, 452, 453, 454, 455 }, conformers { { x { { 5602, 10, -3 }, { 60338, 10, -4 }, { 69764, 10, -4 }, { 69113, 10, -4 }, { 95271, 10, -4 }, { 103775, 10, -4 }, { 65804, 10, -4 }, { 47204, 10, -4 }, { 70137, 10, -4 }, { 46346, 10, -4 }, { 61826, 10, -4 }, { 24766, 10, -4 }, { 74248, 10, -4 }, { 77931, 10, -4 }, { 78855, 10, -4 }, { 46463, 10, -4 }, { 21576, 10, -4 }, { 81, 10, -1 }, { 85667, 10, -4 }, { 55543, 10, -4 }, { 73215, 10, -4 }, { 81724, 10, -4 }, { 82628, 10, -4 }, { 90528, 10, -4 }, { 120003, 10, -4 }, { 47549, 10, -4 }, { 83069, 10, -4 }, { 86045, 10, -4 }, { 6847, 10, -3 }, { 8435, 10, -3 }, { 83789, 10, -4 }, { 88277, 10, -4 }, { 103371, 10, -4 }, { 85136, 10, -4 }, { 84946, 10, -4 }, { 49549, 10, -4 }, { 99338, 10, -4 }, { 83972, 10, -4 }, { 12041, 10, -3 }, { 6411, 10, -3 }, { 101452, 10, -4 }, { 36323, 10, -4 }, { 52362, 10, -4 }, { 38429, 10, -4 }, { 10353, 10, -3 }, { 55318, 10, -4 }, { 59831, 10, -4 }, { 45734, 10, -4 }, { 84159, 10, -4 }, { 66486, 10, -4 }, { 55848, 10, -4 }, { 83682, 10, -4 }, { 56968, 10, -4 }, { 66473, 10, -4 }, { 50175, 10, -4 }, { 56396, 10, -4 }, { 68554, 10, -4 }, { 28494, 10, -4 }, { 56294, 10, -4 }, { 70493, 10, -4 }, { 71567, 10, -4 }, { 45329, 10, -4 }, { 72193, 10, -4 }, { 66615, 10, -4 }, { 36841, 10, -4 }, { 73077, 10, -4 }, { 95805, 10, -4 }, { 56667, 10, -4 }, { 74268, 10, -4 }, { 11675, 10, -3 }, { 74218, 10, -4 }, { 7302, 10, -3 }, { 98443, 10, -4 }, { 94786, 10, -4 }, { 74957, 10, -4 }, { 57495, 10, -4 }, { 66357, 10, -4 }, { 74931, 10, -4 }, { 115532, 10, -4 }, { 75182, 10, -4 }, { 84866, 10, -4 }, { 115722, 10, -4 }, { 58737, 10, -4 }, { 106041, 10, -4 }, { 64239, 10, -4 }, { 105278, 10, -4 }, { 9582, 10, -3 }, { 103405, 10, -4 }, { 109165, 10, -4 }, { 79102, 10, -4 }, { 60331, 10, -4 }, { 80189, 10, -4 }, { 62196, 10, -4 }, { 11302, 10, -3 }, { 106188, 10, -4 }, { 120443, 10, -4 }, { 11462, 10, -3 }, { 126478, 10, -4 }, { 11828, 10, -3 }, { 100995, 10, -4 }, { 65058, 10, -4 }, { 61968, 10, -4 }, { 51968, 10, -4 }, { 48877, 10, -4 }, { 65765, 10, -4 }, { 56726, 10, -4 }, { 56536, 10, -4 }, { 67176, 10, -4 }, { 40499, 10, -4 }, { 68707, 10, -4 }, { 34057, 10, -4 }, { 39021, 10, -4 }, { 54709, 10, -4 }, { 48735, 10, -4 }, { 67871, 10, -4 }, { 60914, 10, -4 }, { 69221, 10, -4 }, { 72916, 10, -4 }, { 5631, 10, -3 }, { 56275, 10, -4 }, { 60781, 10, -4 }, { 32959, 10, -4 }, { 62445, 10, -4 }, { 70995, 10, -4 }, { 46644, 10, -4 }, { 66716, 10, -4 }, { 69869, 10, -4 }, { 82811, 10, -4 }, { 54653, 10, -4 }, { 71091, 10, -4 }, { 70392, 10, -4 }, { 44159, 10, -4 }, { 39498, 10, -4 }, { 76763, 10, -4 }, { 7041, 10, -3 }, { 27661, 10, -4 }, { 72467, 10, -4 }, { 71658, 10, -4 }, { 72107, 10, -4 }, { 56366, 10, -4 }, { 6724, 10, -3 }, { 76046, 10, -4 }, { 72612, 10, -4 }, { 72691, 10, -4 }, { 30564, 10, -4 }, { 7814, 10, -3 }, { 62499, 10, -4 }, { 56491, 10, -4 }, { 80056, 10, -4 }, { 45709, 10, -4 }, { 81419, 10, -4 }, { 7315, 10, -3 }, { 73567, 10, -4 }, { 8589, 10, -3 }, { 56064, 10, -4 }, { 104814, 10, -4 }, { 81859, 10, -4 }, { 112453, 10, -4 }, { 7788, 10, -3 }, { 39509, 10, -4 }, { 73502, 10, -4 }, { 68443, 10, -4 }, { 73941, 10, -4 }, { 90846, 10, -4 }, { 110683, 10, -4 }, { 81721, 10, -4 }, { 73882, 10, -4 }, { 112033, 10, -4 }, { 67758, 10, -4 }, { 121861, 10, -4 }, { 56894, 10, -4 }, { 99138, 10, -4 }, { 85245, 10, -4 }, { 74548, 10, -4 }, { 118321, 10, -4 }, { 83524, 10, -4 }, { 118503, 10, -4 }, { 57171, 10, -4 }, { 67061, 10, -4 }, { 84543, 10, -4 }, { 74778, 10, -4 }, { 11377, 10, -3 }, { 74505, 10, -4 }, { 74743, 10, -4 }, { 83015, 10, -4 }, { 75084, 10, -4 }, { 113241, 10, -4 }, { 87748, 10, -4 }, { 84274, 10, -4 }, { 75151, 10, -4 }, { 84734, 10, -4 }, { 75159, 10, -4 }, { 971, 10, -2 }, { 108249, 10, -4 }, { 106735, 10, -4 }, { 75067, 10, -4 }, { 65649, 10, -4 }, { 84569, 10, -4 }, { 85452, 10, -4 }, { 57866, 10, -4 }, { 99745, 10, -4 }, { 58281, 10, -4 }, { 92189, 10, -4 }, { 98707, 10, -4 }, { 94641, 10, -4 }, { 100051, 10, -4 }, { 89348, 10, -4 }, { 11054, 10, -3 }, { 64942, 10, -4 }, { 52265, 10, -4 }, { 91718, 10, -4 }, { 101607, 10, -4 }, { 10886, 10, -3 }, { 108059, 10, -4 }, { 90963, 10, -4 }, { 88836, 10, -4 }, { 63545, 10, -4 }, { 59233, 10, -4 }, { 42339, 10, -4 }, { 96775, 10, -4 }, { 109666, 10, -4 }, { 92571, 10, -4 }, { 59765, 10, -4 }, { 101922, 10, -4 }, { 63831, 10, -4 }, { 105009, 10, -4 }, { 83071, 10, -4 }, { 62862, 10, -4 }, { 87041, 10, -4 }, { 7622, 10, -3 }, { 55681, 10, -4 }, { 112823, 10, -4 }, { 9188, 10, -3 }, { 117974, 10, -4 }, { 6155, 10, -3 }, { 60927, 10, -4 }, { 92186, 10, -4 }, { 71934, 10, -4 }, { 61319, 10, -4 }, { 68032, 10, -4 }, { 45903, 10, -4 }, { 52616, 10, -4 }, { 45777, 10, -4 }, { 43213, 10, -4 }, { 4827, 10, -3 }, { 63422, 10, -4 }, { 66961, 10, -4 }, { 3867, 10, -3 }, { 71694, 10, -4 }, { 74576, 10, -4 }, { 29075, 10, -4 }, { 29832, 10, -4 }, { 40863, 10, -4 }, { 33344, 10, -4 }, { 496, 10, -2 }, { 60907, 10, -4 }, { 54932, 10, -4 }, { 49217, 10, -4 }, { 50276, 10, -4 }, { 57927, 10, -4 }, { 55045, 10, -4 }, { 65711, 10, -4 }, { 7676, 10, -3 }, { 70407, 10, -4 }, { 5027, 10, -3 }, { 65433, 10, -4 }, { 68314, 10, -4 }, { 7573, 10, -3 }, { 51075, 10, -4 }, { 62592, 10, -4 }, { 6144, 10, -3 }, { 81914, 10, -4 }, { 88945, 10, -4 }, { 83707, 10, -4 }, { 51442, 10, -4 }, { 59318, 10, -4 }, { 22495, 10, -4 }, { 69853, 10, -4 }, { 50107, 10, -4 }, { 75777, 10, -4 }, { 67333, 10, -4 }, { 73618, 10, -4 }, { 43836, 10, -4 }, { 35068, 10, -4 }, { 35161, 10, -4 }, { 38153, 10, -4 }, { 42618, 10, -4 }, { 50164, 10, -4 }, { 75397, 10, -4 }, { 81814, 10, -4 }, { 81181, 10, -4 }, { 64649, 10, -4 }, { 72701, 10, -4 }, { 76172, 10, -4 }, { 22172, 10, -4 }, { 3383, 10, -3 }, { 78648, 10, -4 }, { 614, 10, -2 }, { 71003, 10, -4 }, { 4438, 10, -3 }, { 40498, 10, -4 }, { 78859, 10, -4 }, { 75872, 10, -4 }, { 72838, 10, -4 }, { 76432, 10, -4 }, { 73034, 10, -4 }, { 62006, 10, -4 }, { 56318, 10, -4 }, { 62992, 10, -4 }, { 81657, 10, -4 }, { 83246, 10, -4 }, { 51955, 10, -4 }, { 62549, 10, -4 }, { 85781, 10, -4 }, { 83393, 10, -4 }, { 44812, 10, -4 }, { 83362, 10, -4 }, { 87554, 10, -4 }, { 68464, 10, -4 }, { 32561, 10, -4 }, { 74638, 10, -4 }, { 77897, 10, -4 }, { 107694, 10, -4 }, { 77554, 10, -4 }, { 85505, 10, -4 }, { 11355, 10, -3 }, { 97593, 10, -4 }, { 72155, 10, -4 }, { 74543, 10, -4 }, { 50724, 10, -4 }, { 34644, 10, -4 }, { 35664, 10, -4 }, { 44373, 10, -4 }, { 73007, 10, -4 }, { 66662, 10, -4 }, { 95151, 10, -4 }, { 872, 10, -2 }, { 104864, 10, -4 }, { 107564, 10, -4 }, { 78236, 10, -4 }, { 75647, 10, -4 }, { 123962, 10, -4 }, { 127695, 10, -4 }, { 119761, 10, -4 }, { 79869, 10, -4 }, { 105154, 10, -4 }, { 101658, 10, -4 }, { 82477, 10, -4 }, { 122609, 10, -4 }, { 11432, 10, -3 }, { 123057, 10, -4 }, { 122323, 10, -4 }, { 84107, 10, -4 }, { 89704, 10, -4 }, { 79785, 10, -4 }, { 126896, 10, -4 }, { 53691, 10, -4 }, { 62783, 10, -4 }, { 70085, 10, -4 }, { 8208, 10, -3 }, { 83384, 10, -4 }, { 73402, 10, -4 }, { 92872, 10, -4 }, { 119658, 10, -4 }, { 11288, 10, -3 }, { 79971, 10, -4 }, { 96134, 10, -4 }, { 99352, 10, -4 }, { 81241, 10, -4 }, { 81009, 10, -4 }, { 93867, 10, -4 }, { 52095, 10, -4 }, { 66769, 10, -4 }, { 90464, 10, -4 }, { 85693, 10, -4 }, { 8125, 10, -3 }, { 92023, 10, -4 }, { 83926, 10, -4 }, { 90647, 10, -4 }, { 80966, 10, -4 }, { 121469, 10, -4 }, { 98256, 10, -4 }, { 103299, 10, -4 }, { 102052, 10, -4 }, { 81381, 10, -4 }, { 68771, 10, -4 }, { 65701, 10, -4 }, { 89343, 10, -4 }, { 81502, 10, -4 }, { 79262, 10, -4 }, { 84033, 10, -4 }, { 78831, 10, -4 }, { 93675, 10, -4 }, { 97448, 10, -4 }, { 52574, 10, -4 }, { 87415, 10, -4 }, { 95256, 10, -4 }, { 100831, 10, -4 }, { 9606, 10, -3 }, { 98109, 10, -4 }, { 93915, 10, -4 }, { 5779, 10, -3 }, { 50454, 10, -4 }, { 120863, 10, -4 }, { 116153, 10, -4 }, { 102646, 10, -4 }, { 107807, 10, -4 }, { 54152, 10, -4 }, { 111182, 10, -4 }, { 110801, 10, -4 }, { 114996, 10, -4 }, { 11286, 10, -3 }, { 85166, 10, -4 }, { 63262, 10, -4 }, { 106699, 10, -4 }, { 89187, 10, -4 }, { 94993, 10, -4 }, { 90853, 10, -4 }, { 606, 10, -2 }, { 9868, 10, -3 }, { 101291, 10, -4 }, { 9384, 10, -3 }, { 115464, 10, -4 }, { 8777, 10, -3 }, { 54743, 10, -4 }, { 102199, 10, -4 }, { 103893, 10, -4 }, { 74854, 10, -4 }, { 69904, 10, -4 }, { 66118, 10, -4 }, { 89268, 10, -4 }, { 61694, 10, -4 }, { 55237, 10, -4 }, { 56791, 10, -4 }, { 74154, 10, -4 }, { 5988, 10, -3 }, { 93822, 10, -4 }, { 98016, 10, -4 }, { 62035, 10, -4 }, { 6429, 10, -3 }, { 30169, 10, -4 }, { 118717, 10, -4 }, { 112289, 10, -4 }, { 109328, 10, -4 }, { 111885, 10, -4 }, { 55496, 10, -4 }, { 126282, 10, -4 }, { 119328, 10, -4 }, { 43202, 10, -4 }, { 120459, 10, -4 }, { 131939, 10, -4 }, { 126288, 10, -4 }, { 113008, 10, -4 }, { 106267, 10, -4 }, { 101184, 10, -4 } }, y { { 17182, 10, -4 }, { 26208, 10, -4 }, { -13328, 10, -4 }, { -13606, 10, -4 }, { -5688, 10, -4 }, { -426, 10, -4 }, { 14674, 10, -4 }, { 116, 10, -3 }, { 14168, 10, -4 }, { -3117, 10, -4 }, { -25536, 10, -4 }, { -8644, 10, -4 }, { 12709, 10, -4 }, { 10371, 10, -4 }, { -19136, 10, -4 }, { -7478, 10, -4 }, { 31959, 10, -4 }, { 7271, 10, -4 }, { 49989, 10, -4 }, { 54431, 10, -4 }, { -3125, 10, -3 }, { -1585, 10, -3 }, { 4856, 10, -4 }, { -30727, 10, -4 }, { 33403, 10, -4 }, { -11703, 10, -4 }, { 34665, 10, -4 }, { -21894, 10, -4 }, { -24039, 10, -4 }, { 848, 10, -4 }, { -12007, 10, -4 }, { -30714, 10, -4 }, { 15585, 10, -4 }, { -3443, 10, -4 }, { -7801, 10, -4 }, { -1558, 10, -3 }, { -17376, 10, -4 }, { -25368, 10, -4 }, { 45119, 10, -4 }, { -24165, 10, -4 }, { 1166, 10, -4 }, { -25362, 10, -4 }, { -18914, 10, -4 }, { -817, 10, -3 }, { -56424, 10, -4 }, { -29219, 10, -4 }, { -23317, 10, -4 }, { -2227, 10, -3 }, { 5862, 10, -3 }, { 27193, 10, -4 }, { -21537, 10, -4 }, { 12194, 10, -4 }, { -1228, 10, -4 }, { 4645, 10, -4 }, { -14818, 10, -4 }, { -3269, 10, -4 }, { 4242, 10, -4 }, { 6742, 10, -4 }, { -5387, 10, -4 }, { 3385, 10, -4 }, { -12214, 10, -4 }, { 33246, 10, -4 }, { 2118, 10, -4 }, { 43115, 10, -4 }, { 36157, 10, -4 }, { -10726, 10, -4 }, { 38644, 10, -4 }, { -7474, 10, -4 }, { -725, 10, -4 }, { 1854, 10, -3 }, { -8939, 10, -4 }, { -22516, 10, -4 }, { 17273, 10, -4 }, { 21909, 10, -4 }, { -273, 10, -3 }, { -9425, 10, -4 }, { -14212, 10, -4 }, { -6942, 10, -4 }, { 26926, 10, -4 }, { -4837, 10, -4 }, { -3826, 10, -4 }, { 18476, 10, -4 }, { -11143, 10, -4 }, { 32838, 10, -4 }, { -14115, 10, -4 }, { 52015, 10, -4 }, { 24324, 10, -4 }, { -1563, 10, -3 }, { 3792, 10, -4 }, { 15326, 10, -4 }, { -12541, 10, -4 }, { 41761, 10, -4 }, { -13548, 10, -4 }, { 22282, 10, -4 }, { 38198, 10, -4 }, { -12516, 10, -4 }, { -28829, 10, -4 }, { 4321, 10, -4 }, { -10936, 10, -4 }, { 12724, 10, -4 }, { 465, 10, -3 }, { 14161, 10, -4 }, { 14161, 10, -4 }, { 465, 10, -3 }, { 4674, 10, -4 }, { -1893, 10, -4 }, { -2575, 10, -4 }, { 4563, 10, -4 }, { -10407, 10, -4 }, { 14445, 10, -4 }, { -17914, 10, -4 }, { -2647, 10, -3 }, { 7263, 10, -4 }, { -24604, 10, -4 }, { 4428, 10, -4 }, { 20712, 10, -4 }, { 4005, 10, -4 }, { 13298, 10, -4 }, { -3972, 10, -4 }, { -4679, 10, -4 }, { -15591, 10, -4 }, { -2909, 10, -4 }, { 30594, 10, -4 }, { -1263, 10, -3 }, { -1988, 10, -4 }, { 21144, 10, -4 }, { 3719, 10, -4 }, { 14744, 10, -4 }, { 36861, 10, -4 }, { 3006, 10, -4 }, { -13002, 10, -4 }, { 7698, 10, -4 }, { -8984, 10, -4 }, { 11242, 10, -4 }, { 30436, 10, -4 }, { 17343, 10, -4 }, { 20272, 10, -4 }, { 2583, 10, -4 }, { -11756, 10, -4 }, { -6091, 10, -4 }, { 33452, 10, -4 }, { 38202, 10, -4 }, { -11259, 10, -4 }, { 1615, 10, -4 }, { 27574, 10, -4 }, { 28507, 10, -4 }, { 21066, 10, -4 }, { -6788, 10, -4 }, { 838, 10, -3 }, { 42025, 10, -4 }, { -15996, 10, -4 }, { 1076, 10, -4 }, { 505, 10, -4 }, { 39992, 10, -4 }, { 44444, 10, -4 }, { 34292, 10, -4 }, { 6094, 10, -4 }, { 40746, 10, -4 }, { 1814, 10, -3 }, { 4987, 10, -3 }, { -10159, 10, -4 }, { -13835, 10, -4 }, { -97, 10, -4 }, { 1707, 10, -4 }, { 50588, 10, -4 }, { -25991, 10, -4 }, { -9562, 10, -4 }, { 27364, 10, -4 }, { -14012, 10, -4 }, { 37358, 10, -4 }, { -8144, 10, -4 }, { 7297, 10, -4 }, { 24905, 10, -4 }, { -1375, 10, -4 }, { 57042, 10, -4 }, { -12217, 10, -4 }, { 8689, 10, -4 }, { -8796, 10, -4 }, { -14138, 10, -4 }, { -107, 10, -3 }, { -2045, 10, -4 }, { -12, 10, -3 }, { -8292, 10, -4 }, { -7625, 10, -4 }, { -2221, 10, -3 }, { -3426, 10, -4 }, { 17192, 10, -4 }, { -13401, 10, -4 }, { 519, 10, -4 }, { -5545, 10, -4 }, { -8065, 10, -4 }, { -413, 10, -3 }, { -16944, 10, -4 }, { 33778, 10, -4 }, { 22862, 10, -4 }, { -6248, 10, -4 }, { -14232, 10, -4 }, { -8906, 10, -4 }, { 10449, 10, -4 }, { -10028, 10, -4 }, { 28516, 10, -4 }, { -10602, 10, -4 }, { -2431, 10, -4 }, { -26814, 10, -4 }, { 14393, 10, -4 }, { 1852, 10, -3 }, { -16936, 10, -4 }, { 43512, 10, -4 }, { -142, 10, -2 }, { -1859, 10, -3 }, { 3458, 10, -4 }, { -5793, 10, -4 }, { 13787, 10, -4 }, { -30357, 10, -4 }, { -33141, 10, -4 }, { 13034, 10, -4 }, { -13977, 10, -4 }, { -11648, 10, -4 }, { -17374, 10, -4 }, { 46753, 10, -4 }, { -40227, 10, -4 }, { -43011, 10, -4 }, { -12115, 10, -4 }, { -46554, 10, -4 }, { -23973, 10, -4 }, { 28268, 10, -4 }, { 32185, 10, -4 }, { -13788, 10, -4 }, { 49045, 10, -4 }, { 24901, 10, -4 }, { -21243, 10, -4 }, { -18992, 10, -4 }, { 27452, 10, -4 }, { -941, 10, -4 }, { -13259, 10, -4 }, { -12923, 10, -4 }, { 17457, 10, -4 }, { 9646, 10, -4 }, { 20327, 10, -4 }, { 1545, 10, -3 }, { 1545, 10, -3 }, { 20327, 10, -4 }, { -719, 10, -4 }, { 7172, 10, -4 }, { -593, 10, -4 }, { 9497, 10, -4 }, { 10825, 10, -4 }, { -2106, 10, -4 }, { 19877, 10, -4 }, { 12446, 10, -4 }, { -21605, 10, -4 }, { -13376, 10, -4 }, { -3239, 10, -3 }, { -28963, 10, -4 }, { 3751, 10, -4 }, { 7424, 10, -4 }, { -24816, 10, -4 }, { -30786, 10, -4 }, { -2279, 10, -4 }, { 15279, 10, -4 }, { 2271, 10, -3 }, { 11747, 10, -4 }, { 8433, 10, -4 }, { 10158, 10, -4 }, { -622, 10, -3 }, { 36026, 10, -4 }, { 28595, 10, -4 }, { -19689, 10, -4 }, { 2349, 10, -4 }, { 16513, 10, -4 }, { 244, 10, -2 }, { 20879, 10, -4 }, { 15641, 10, -4 }, { 8609, 10, -4 }, { 42164, 10, -4 }, { 40944, 10, -4 }, { 5173, 10, -4 }, { 9081, 10, -4 }, { -5785, 10, -4 }, { -16076, 10, -4 }, { -7609, 10, -4 }, { 874, 10, -3 }, { -13414, 10, -4 }, { -13321, 10, -4 }, { -4553, 10, -4 }, { 6157, 10, -4 }, { 13704, 10, -4 }, { 9239, 10, -4 }, { -1709, 10, -3 }, { 14837, 10, -4 }, { 6891, 10, -4 }, { 32727, 10, -4 }, { 36197, 10, -4 }, { 28145, 10, -4 }, { 1446, 10, -3 }, { 1673, 10, -3 }, { 19779, 10, -4 }, { 35534, 10, -4 }, { 28524, 10, -4 }, { 27119, 10, -4 }, { 37131, 10, -4 }, { 30181, 10, -4 }, { -16532, 10, -4 }, { 7814, 10, -4 }, { 6642, 10, -4 }, { 32024, 10, -4 }, { 14886, 10, -4 }, { 21559, 10, -4 }, { 27247, 10, -4 }, { 33613, 10, -4 }, { 2499, 10, -3 }, { -11015, 10, -4 }, { -5471, 10, -4 }, { 10759, 10, -4 }, { 3155, 10, -4 }, { 48159, 10, -4 }, { -10108, 10, -4 }, { -16887, 10, -4 }, { 49033, 10, -4 }, { 40643, 10, -4 }, { 6611, 10, -4 }, { -14626, 10, -4 }, { 42289, 10, -4 }, { 10555, 10, -4 }, { 11109, 10, -4 }, { 34644, 10, -4 }, { 44581, 10, -4 }, { 15761, 10, -4 }, { 23365, 10, -4 }, { -924, 10, -3 }, { 46026, 10, -4 }, { 54734, 10, -4 }, { 53714, 10, -4 }, { -18031, 10, -4 }, { -7896, 10, -4 }, { -2754, 10, -4 }, { -3307, 10, -4 }, { 48448, 10, -4 }, { 55947, 10, -4 }, { -13977, 10, -4 }, { -17176, 10, -4 }, { 43191, 10, -4 }, { 35257, 10, -4 }, { 31525, 10, -4 }, { 1935, 10, -4 }, { 8795, 10, -4 }, { 1632, 10, -4 }, { 1686, 10, -4 }, { 2057, 10, -3 }, { 61778, 10, -4 }, { 61044, 10, -4 }, { 52306, 10, -4 }, { -6045, 10, -4 }, { -11719, 10, -4 }, { -11667, 10, -4 }, { 7347, 10, -4 }, { -13927, 10, -4 }, { -6162, 10, -4 }, { -27977, 10, -4 }, { 462, 10, -3 }, { -716, 10, -3 }, { -37447, 10, -4 }, { 19992, 10, -4 }, { -2062, 10, -4 }, { -6256, 10, -4 }, { -10958, 10, -4 }, { 15857, 10, -4 }, { 26102, 10, -4 }, { -4157, 10, -4 }, { -1385, 10, -4 }, { -12405, 10, -4 }, { -12472, 10, -4 }, { -20398, 10, -4 }, { 868, 10, -4 }, { -5517, 10, -4 }, { -443, 10, -3 }, { -2354, 10, -3 }, { -1917, 10, -4 }, { -6202, 10, -4 }, { -8361, 10, -4 }, { 28713, 10, -4 }, { -10853, 10, -4 }, { -17025, 10, -4 }, { 33588, 10, -4 }, { -4876, 10, -4 }, { -19589, 10, -4 }, { -8033, 10, -4 }, { -12862, 10, -4 }, { -14295, 10, -4 }, { 10099, 10, -4 }, { 16484, 10, -4 }, { -2405, 10, -4 }, { 27253, 10, -4 }, { 34274, 10, -4 }, { -13026, 10, -4 }, { 1525, 10, -4 }, { 2957, 10, -4 }, { 14743, 10, -4 }, { 8358, 10, -4 }, { 12632, 10, -4 }, { 1941, 10, -3 }, { -21403, 10, -4 }, { -2452, 10, -3 }, { 21941, 10, -4 }, { 12291, 10, -4 }, { 32, 10, -3 }, { -5754, 10, -4 }, { -15316, 10, -4 }, { 36303, 10, -4 }, { 19675, 10, -4 }, { 12898, 10, -4 }, { -26434, 10, -4 }, { -30945, 10, -4 }, { -20237, 10, -4 }, { 5805, 10, -3 }, { 19224, 10, -4 }, { 13763, 10, -4 }, { 28035, 10, -4 }, { -19433, 10, -4 }, { -19645, 10, -4 }, { 42505, 10, -4 }, { 41291, 10, -4 }, { -42423, 10, -4 }, { -46934, 10, -4 }, { -1575, 10, -3 }, { -22876, 10, -4 }, { 529, 10, -4 }, { 1081, 10, -3 }, { -22722, 10, -4 }, { -29736, 10, -4 }, { 32375, 10, -4 }, { -22754, 10, -4 }, { -27427, 10, -4 }, { -17631, 10, -4 }, { 43182, 10, -4 }, { -19299, 10, -4 }, { 3334, 10, -3 }, { 26563, 10, -4 }, { -1944, 10, -3 }, { -7698, 10, -4 }, { -24609, 10, -4 }, { 24728, 10, -4 }, { 16126, 10, -4 }, { -5862, 10, -3 }, { 40644, 10, -4 }, { -35417, 10, -4 }, { -14601, 10, -4 }, { -6417, 10, -4 }, { -27929, 10, -4 }, { -30913, 10, -4 }, { 1387, 10, -4 }, { 10518, 10, -4 }, { -14199, 10, -4 }, { 15986, 10, -4 }, { 6527, 10, -4 } }, style { annotation { wedge-down, wedge-down, wedge-up, wedge-down, wedge-down, wedge-down, wedge-up, wedge-down, wedge-up, wedge-up, wedge-up, wedge-up, wedge-up, wedge-down, wedge-down, wedge-down, wedge-up, wedge-up, wedge-down, wedge-down, wedge-up, wedge-up, wedge-up, wedge-up, wedge-up, wedge-up, aromatic, aromatic, aromatic, aromatic, wedge-up, aromatic, aromatic, wedge-up, wedge-up }, aid1 { 101, 107, 108, 109, 117, 118, 120, 124, 130, 142, 143, 144, 150, 153, 156, 158, 167, 169, 174, 177, 184, 186, 188, 190, 194, 202, 204, 204, 214, 215, 217, 221, 222, 223, 227 }, aid2 { 238, 245, 110, 248, 262, 128, 125, 268, 134, 302, 151, 149, 160, 157, 323, 170, 176, 341, 348, 356, 191, 189, 193, 198, 201, 210, 214, 215, 221, 222, 225, 224, 224, 231, 233 } } } } } }, charge 0, props { { urn { label "Compound", name "Canonicalized", datatype uint, release "2011.04.04" }, value ival 0 }, { urn { label "Compound Complexity", datatype double, implementation "E_COMPLEXITY", version "3.396", software "Cactvs", source "xemistry.com", release "2012.02.08" }, value fval { 823, 10, 1 } }, { urn { label "Count", name "Hydrogen Bond Acceptor", datatype uint, implementation "E_NHACCEPTORS", version "3.396", software "Cactvs", source "xemistry.com", release "2012.02.08" }, value ival 57 }, { urn { label "Count", name "Hydrogen Bond Donor", datatype uint, implementation "E_NHDONORS", version "3.396", software "Cactvs", source "xemistry.com", release "2012.02.08" }, value ival 53 }, { urn { label "Count", name "Rotatable Bond", datatype uint, implementation "E_NROTBONDS", version "3.396", software "Cactvs", source "xemistry.com", release "2012.02.08" }, value ival 47 }, { urn { label "Fingerprint", name "SubStructure Keys", datatype fingerprint, parameters "extended 2", implementation "E_SCREEN", version "3.396", software "Cactvs", source "xemistry.com", release "2012.02.08" }, value binary '00000371F07FFE00700000000000000000000000000162C00000300000 000000000000010000001E04100800000D2CE5D806B30E83C00200A802A1D23800020000A02000 0988818E08888A763E8AD93394700026F613989807BFCBE0AE2000000000000000400000000000 0000000000000000'H }, { urn { label "InChI", name "Standard", datatype string, version "1.0.4", software "InChI", source "iupac.org", release "2012.02.08" }, value sval "InChI=1S/C137H218N48O46S6/c1-10-64(7)105-130(228)173-75(40-6 2(3)4)118(216)165-70(31-32-92(139)190)107(205)69(20-14-34-149-134(141)142)109( 207)176-85-57-233-234-58-86-125(223)166-71(22-15-35-150-135(143)144)110(208)15 5-49-97(195)162-77(42-93(140)191)111(209)156-50-96(194)161-76(41-67-27-29-68(1 89)30-28-67)119(217)177-84-56-232-236-60-88(179-121(219)80(45-103(203)204)172- 123(221)83(55-188)174-120(218)79(44-102(201)202)171-116(214)74(24-17-37-152-13 7(147)148)167-115(213)73(168-124(85)222)23-16-36-151-136(145)146)132(230)184-3 8-18-25-90(184)127(225)159-48-95(193)160-66(9)108(206)175-87(126(224)183-106(6 5(8)11-2)131(229)178-86)59-235-237-61-89(133(231)185-39-19-26-91(185)128(226)1 69-72(117(215)182-105)21-12-13-33-138)180-129(227)104(63(5)6)181-100(198)47-15 3-94(192)46-154-112(210)78(43-101(199)200)170-122(220)82(54-187)164-99(197)51- 157-113(211)81(53-186)163-98(196)52-158-114(84)212/h27-30,62-66,69-91,104-106, 186-189H,10-26,31-61,138H2,1-9H3,(H2,139,190)(H2,140,191)(H,153,192)(H,154,210 )(H,155,208)(H,156,209)(H,157,211)(H,158,212)(H,159,225)(H,160,193)(H,161,194) (H,162,195)(H,163,196)(H,164,197)(H,165,216)(H,166,223)(H,167,213)(H,168,222)( H,169,226)(H,170,220)(H,171,214)(H,172,221)(H,173,228)(H,174,218)(H,175,206)(H ,176,207)(H,177,217)(H,178,229)(H,179,219)(H,180,227)(H,181,198)(H,182,215)(H, 183,224)(H,199,200)(H,201,202)(H,203,204)(H4,141,142,149)(H4,143,144,150)(H4,1 45,146,151)(H4,147,148,152)/t64-,65-,66-,69-,70-,71-,72-,73-,74-,75-,76-,77-,7 8-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,104-,105-,106-/m0/s1" }, { urn { label "InChIKey", name "Standard", datatype string, version "1.0.4", software "InChI", source "iupac.org", release "2012.02.08" }, value sval "CLNWPOLWXUOXRX-SNWIYWKESA-N" }, { urn { label "Log P", name "XLogP3-AA", datatype double, version "3.0", source "sioc-ccbg.ac.cn", release "2012.02.08" }, value fval { -175, 10, -1 } }, { urn { label "Mass", name "Exact", datatype double, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2012.02.08" }, value fval { 3464455263, 10, -6 } }, { urn { label "Molecular Formula", datatype string, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2012.02.08" }, value sval "C137H218N48O46S6" }, { urn { label "Molecular Weight", datatype double, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2012.02.08" }, value fval { 346588082, 10, -5 } }, { urn { label "SMILES", name "Canonical", datatype string, version "1.7.6", software "OEChem", source "openeye.com", release "2012.02.08" }, value sval "CCC(C)C1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N C(C(=O)NC4CSSCC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C( =O)NC(CSSCC(C(=O)N1)NC(=O)C(NC(=O)CNC(=O)C5CCCN5C4=O)C)C(=O)N6CCCC6C(=O)NC(C(= O)NC(C(=O)NC(C(=O)NC(C(=O)C(C(=O)N3)CCCNC(=N)N)CCC(=O)N)CC(C)C)C(C)CC)CCCCN)C( C)C)CC(=O)O)CO)CO)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC2=O)CCCNC(=N)N)CC(=O )N)CC7=CC=C(C=C7)O)CC(=O)O)CO)CC(=O)O)CCCNC(=N)N)CCCNC(=N)N" }, { urn { label "SMILES", name "Isomeric", datatype string, version "1.7.6", software "OEChem", source "openeye.com", release "2012.02.08" }, value sval "CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H ](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]4CSSC[C@@H](C(=O)NCC(=O)N[C@H ](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSSC[C @@H](C(=O)N1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]5CCCN5C4=O)C)C(=O)N6CCC[C@H]6C(=O )N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H](C(=O)N3)CCCNC(=N)N)CCC (=O)N)CC(C)C)[C@@H](C)CC)CCCCN)C(C)C)CC(=O)O)CO)CO)NC(=O)[C@@H](NC(=O)CNC(=O)[ C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCNC(=N)N)CC(=O)N)CC7=CC=C(C=C7)O)CC(=O)O)CO) CC(=O)O)CCCNC(=N)N)CCCNC(=N)N" }, { urn { label "Topological", name "Polar Surface Area", datatype double, implementation "E_TPSA", version "3.396", software "Cactvs", source "xemistry.com", release "2012.02.08" }, value fval { 166, 10, 1 } }, { urn { label "Weight", name "MonoIsotopic", datatype double, version "2.1", software "PubChem", source "ncbi.nlm.nih.gov", release "2012.02.08" }, value fval { 3463451908, 10, -6 } } }, count { heavy-atom 237, atom-chiral 29, atom-chiral-def 29, atom-chiral-undef 0, bond-chiral 0, bond-chiral-def 0, bond-chiral-undef 0, isotope-atom 0, covalent-unit 1, tautomers 1001 } }