B5PJY7 -OEChem-04042103133D 47 49 0 0 0 0 0 0 0999 V2000 2.8758 -1.0711 0.1015 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4359 2.1020 -1.1419 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5032 -2.1776 1.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 0.4807 2.7116 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8019 1.9547 1.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -2.6998 -0.3113 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -0.6815 -0.8863 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3545 0.8474 1.5140 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2012 -0.7747 -0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5955 0.1510 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 -0.9602 -0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 -0.0219 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6052 0.0708 0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6915 -0.4066 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4282 -1.7128 -1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4978 1.5352 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 -1.8056 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7426 -0.8540 -1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 -0.3264 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6897 0.4199 0.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4959 2.3616 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5919 1.8038 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2512 1.0488 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -1.2109 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8249 -1.8485 0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4719 1.5394 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3017 -0.7203 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4970 0.6548 0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5589 2.3019 -2.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 -1.4813 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 0.7923 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8801 -2.3786 -2.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5269 -2.5479 -1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3061 -0.1419 -1.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -1.8014 -1.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5631 0.0169 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4265 3.4408 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3704 2.4476 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 1.7477 -0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9402 -2.2844 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6239 2.6100 0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0999 -1.4089 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4474 1.0368 0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7344 1.3518 -3.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3722 3.0016 -2.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6223 2.7298 -2.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5887 -3.1492 1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 2 29 1 0 0 0 0 3 25 1 0 0 0 0 3 47 1 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 25 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 31 1 0 0 0 0 14 20 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 21 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 24 27 2 0 0 0 0 24 40 1 0 0 0 0 26 28 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$