B31HEX -OEChem-04012113323D 61 65 0 1 0 0 0 0 0999 V2000 3.4470 1.7878 1.8445 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9704 2.4216 3.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 3.2428 -2.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2827 -2.2408 0.2119 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2350 -0.1895 2.2365 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -0.1647 -1.7145 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 -0.0613 -3.8032 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 -2.4206 1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3864 -1.0722 2.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9078 -1.9911 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2436 -1.3482 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9509 -0.8249 2.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9844 -2.5182 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1568 -1.1692 1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 -2.3763 -0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9115 -1.5763 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 1.1827 2.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -1.3852 -2.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -2.1748 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3418 -1.3681 0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2026 2.0213 2.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 -1.3228 -3.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8678 -0.1833 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1968 -2.3515 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 2.3431 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2521 0.6113 -2.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2479 0.0181 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5770 -2.1500 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6987 1.8510 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7726 3.1284 1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1025 -0.9651 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 2.1549 -1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5762 3.4321 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2422 2.9454 -1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6248 2.7137 -3.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9501 -2.9827 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4477 -3.0417 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8252 -1.2227 3.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 -0.5695 1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 -1.6412 3.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 -0.1055 3.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 -2.7217 -0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 -3.4433 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6544 -0.6900 2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -2.8894 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 -2.5048 -1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 0.1297 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 -2.1022 -3.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2169 0.5916 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 -3.2809 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5491 1.6499 -2.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6569 0.9403 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2427 -2.9155 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 1.2376 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0484 3.5150 2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1771 -0.8084 0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 1.7429 -2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4614 4.0476 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 1.6184 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 3.0492 -4.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6528 3.1100 -3.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 21 2 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 26 1 0 0 0 0 6 47 1 0 0 0 0 7 22 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 18 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 2 0 0 0 0 14 44 1 0 0 0 0 15 19 2 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 46 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 24 28 2 0 0 0 0 24 50 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 51 1 0 0 0 0 27 31 2 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 32 1 0 0 0 0 29 54 1 0 0 0 0 30 33 2 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 32 34 2 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 M END $$$$