BENP95 -OEChem-04042105363D 37 40 0 0 0 0 0 0 0999 V2000 -3.9754 -2.9565 -0.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9588 -1.0148 -0.0221 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3592 -0.6590 -0.0176 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2253 1.5762 0.0895 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4233 1.6864 0.1161 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0098 0.0226 -0.6435 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9327 -0.9354 -1.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7777 -2.3525 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2305 -1.6200 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -2.9606 0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8789 -0.1266 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 1.2246 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0309 2.0570 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 0.2388 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2678 3.4251 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6954 -0.2795 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5628 3.9291 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6006 3.0225 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -1.5286 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 0.4503 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 -2.0030 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2635 -1.1961 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5092 -1.4612 -1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1571 0.0818 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -2.9865 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1814 -2.3079 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7352 -1.0672 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9155 -1.6680 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 -3.9991 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6338 -2.4164 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5685 4.1204 0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 4.9954 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6335 3.3527 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2347 -2.1503 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.4294 -1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5595 -2.9728 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2972 -1.5200 -0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 11 2 0 0 0 0 3 14 1 0 0 0 0 4 13 1 0 0 0 0 4 14 2 0 0 0 0 5 12 1 0 0 0 0 5 18 2 0 0 0 0 6 20 1 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$