BX86MC -OEChem-04022105023D 61 64 0 0 0 0 0 0 0999 V2000 -11.2287 -0.0512 -1.1721 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.3674 -1.7558 1.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3573 0.6453 0.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2824 1.3754 -1.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7762 0.7584 0.6779 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0383 -1.3523 1.1722 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2821 -1.4792 -0.1075 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2339 -0.5341 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6459 0.4268 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1006 1.0106 1.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 -0.4805 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7455 1.6888 1.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 0.2511 -0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4732 1.4057 0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9719 -0.2828 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6346 0.3565 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2186 0.0392 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 1.0112 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0692 -0.9241 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7344 1.0079 -1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.0259 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4278 -1.0063 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0996 0.9551 -1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9286 -0.0342 -0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 -0.1407 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7096 0.4667 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 -0.3522 -0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 -2.2430 -0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6697 -1.7341 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1472 0.2337 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6055 -0.0825 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9392 0.8467 0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8181 1.2684 -0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9910 0.2204 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8111 1.7384 1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 -0.8158 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4383 -1.3861 0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8739 2.5768 0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 2.0337 2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -0.4627 -1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3636 1.0694 -1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2616 2.0326 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 2.0719 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4762 -0.3242 -0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6303 -0.2552 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2157 1.6729 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 1.6532 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1041 1.7818 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1241 -0.6530 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9263 -0.6551 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0620 -1.7760 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5202 1.6961 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 1.5488 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2132 -3.3137 -0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 -2.4262 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0762 -1.4320 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7665 0.4292 -1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2456 -0.9697 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7755 0.3514 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3156 1.7463 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9872 1.1571 0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 6 1 0 0 0 0 2 19 1 0 0 0 0 3 21 1 0 0 0 0 3 25 1 0 0 0 0 4 30 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 2 0 0 0 0 7 25 2 0 0 0 0 7 28 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 24 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END $$$$