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-9.2281    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  2  0  0  0  0\n  3  7  1  1  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  2  0  0  0  0\n 10 14  1  1  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 21 23  1  0  0  0  0\n 20 24  1  1  0  0  0\n 24 25  1  0  0  0  0\n 26 25  2  0  0  0  0\n 27 26  1  0  0  0  0\n 28 27  2  0  0  0  0\n 29 28  1  0  0  0  0\n 30 29  2  0  0  0  0\n 25 30  1  0  0  0  0\n 28 31  1  0  0  0  0\n 19 32  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  2  0  0  0  0\n 35 37  1  0  0  0  0\n 34 38  1  1  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  2  0  0  0  0\n 40 42  1  0  0  0  0\n 33 43  1  0  0  0  0\nM  STY  1   1 SRU\nM  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0  0  0  0  0  0  0  0  0  0  0\n    7.3612   -7.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0633   -4.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9573   -8.8213    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3935  -10.0081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7444   -9.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0954  -10.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0954  -11.5680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.4465   -9.2280    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7444   -7.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0954   -6.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0954   -5.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7444   -4.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.4465   -4.5480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0424   -9.2281    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0\n   44.4288   -9.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   45.7798   -8.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   45.7798   -6.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   47.1307   -9.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  2  0  0  0  0\n  3  7  1  1  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  2  0  0  0  0\n 10 14  1  1  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 21 23  1  0  0  0  0\n 20 24  1  1  0  0  0\n 24 25  1  0  0  0  0\n 26 25  2  0  0  0  0\n 27 26  1  0  0  0  0\n 28 27  2  0  0  0  0\n 29 28  1  0  0  0  0\n 30 29  2  0  0  0  0\n 25 30  1  0  0  0  0\n 28 31  1  0  0  0  0\n 19 32  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  2  0  0  0  0\n 35 37  1  0  0  0  0\n 34 38  1  1  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  2  0  0  0  0\n 40 42  1  0  0  0  0\n 33 43  1  0  0  0  0\n 44 45  1  0  0  0  0\n 45 46  2  0  0  0  0\n 45 47  1  0  0  0  0\nM  STY  1   1 SRU\nM  SCN  1   1 HT \nM  SAL   1  8  20  24  25  30  29  28  31  27\nM  SAL   1  4  26  21  22  19\nM  SBL   1  2  20  30\nM  SMT   1 A\nM  SDI   1  4    2.6327   -9.9913    2.6327   -8.4313\nM  SDI   1  4    6.6857   -8.4313    6.6857   -9.9913\nM  STY  1   2 SRU\nM  SCN  1   2 HT \nM  SAL   2  8  34  38  39  40  42  41  35  36\nM  SAL   2  1  33\nM  SBL   2  2  34  40\nM  SMT   2 B\nM  SDI   2  4   14.7179  -10.3981   14.7179   -8.8381\nM  SDI   2  4   18.7709   -8.8381   18.7709  -10.3981\nM  STY  1   3 SRU\nM  SCN  1   3 HT \nM  SAL   3  8  10  14  15  16  17  18  11  13\nM  SAL   3  1   8\nM  SBL   3  2   7  10\nM  SMT   3 C\nM  SDI   3  4   24.9025  -10.8160   24.9025   -9.2560\nM  SDI   3  4   28.9555   -9.2560   28.9555  -10.8160\nM  STY  1   4 SRU\nM  SCN  1   4 HT \nM  SAL   4  5   3   7   4   6   1\nM  SBL   4  2   1   4\nM  SMT   4 D\nM  SDI   4  4   35.7053   -9.6983   35.7053   -8.1383\nM  SDI   4  4   39.7582   -8.1383   39.7582   -9.6983\nM  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