Marvin 11071212202D 91102 0 0 1 0 999 V2000 16.3696 -31.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3696 -31.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6551 -30.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6551 -32.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9406 -31.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9406 -31.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 -30.8118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6711 -31.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1559 -32.1467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8317 -24.1151 0.0000 Co 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 -25.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0124 -25.0136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0124 -23.3156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 -22.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4119 -22.1352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5655 -22.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6899 -23.3156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5140 -23.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9282 -24.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5140 -24.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6899 -25.0136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5655 -25.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3028 -26.1982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4252 -27.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1930 -27.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3152 -28.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8950 -25.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5331 -26.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6669 -25.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0536 -21.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8616 -22.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8616 -21.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8616 -26.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8616 -27.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2008 -24.8687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4039 -24.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2008 -23.4398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4039 -23.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4119 -27.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8950 -22.7150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6096 -22.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3240 -22.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0384 -22.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0384 -21.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7529 -22.7150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3028 -21.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0174 -20.8977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0174 -20.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7318 -21.3102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3028 -22.1352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1053 -23.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 -22.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 -21.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 -23.1275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8197 -25.6184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1053 -26.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 -25.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 -24.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 -26.0309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6975 -27.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9831 -27.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2685 -27.4357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9831 -28.6732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2685 -29.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6975 -26.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4119 -26.1982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2685 -29.9107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9829 -30.3232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5541 -30.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1579 -31.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6699 -28.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0830 -28.4338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8197 -22.7150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6063 -21.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2936 -21.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5274 -21.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4088 -20.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6426 -19.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0567 -19.6857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 -32.6000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7056 -33.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0381 -32.6002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2534 -32.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0819 -33.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1179 -31.8155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6028 -31.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2929 -31.8155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8079 -31.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -31.1482 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.9829 -31.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0841 -30.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 9 8 1 0 0 0 0 12 10 1 0 0 0 0 33 11 2 0 0 0 0 11 12 1 0 0 0 0 66 11 1 0 0 0 0 35 12 1 0 0 0 0 37 13 1 0 0 0 0 13 14 2 0 0 0 0 15 14 1 0 0 0 0 14 31 1 0 0 0 0 15 75 1 6 0 0 0 73 15 1 0 0 0 0 31 16 2 0 0 0 0 16 17 1 0 0 0 0 50 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 40 18 1 0 0 0 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0 0 0 0 82 83 1 6 0 0 0 83 84 1 0 0 0 0 85 87 1 0 0 0 0 85 86 1 1 0 0 0 87 88 1 1 0 0 0 89 88 1 0 0 0 0 89 90 1 0 0 0 0 17 10 8 0 0 0 0 13 10 8 0 0 0 0 21 10 8 0 0 0 0 1 91 1 0 0 0 0 7 10 8 0 0 0 0 M STY 4 1 DAT 2 DAT 3 DAT 4 DAT M SAL 1 2 17 10 M SDT 1 MRV_COORDINATE_BOND_TYPE M SDD 1 0.0000 0.0000 DR ALL 0 0 M SED 1 98 M SAL 2 2 13 10 M SDT 2 MRV_COORDINATE_BOND_TYPE M SDD 2 0.0000 0.0000 DR ALL 0 0 M SED 2 99 M SAL 3 2 21 10 M SDT 3 MRV_COORDINATE_BOND_TYPE M SDD 3 0.0000 0.0000 DR ALL 0 0 M SED 3 100 M SAL 4 2 7 10 M SDT 4 MRV_COORDINATE_BOND_TYPE M SDD 4 0.0000 0.0000 DR ALL 0 0 M SED 4 102 M END