BVNU32 -OEChem-04012114392D 50 52 0 1 0 0 0 0 0999 V2000 7.6651 1.9957 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 3.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2137 1.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.0497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.7602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.9382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.3203 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 2.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.5103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.8177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8337 2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 3.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.5660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 0.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.8355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 3.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 3.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1343 3.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8572 3.5550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4862 2.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2790 2.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 2.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1460 3.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2802 3.6185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 13 3 1 6 0 0 0 3 34 1 0 0 0 0 14 4 1 6 0 0 0 4 35 1 0 0 0 0 5 25 2 0 0 0 0 15 6 1 1 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 7 20 1 0 0 0 0 8 18 2 0 0 0 0 8 24 1 0 0 0 0 9 22 1 0 0 0 0 9 24 2 0 0 0 0 10 23 1 0 0 0 0 10 25 1 0 0 0 0 10 42 1 0 0 0 0 11 22 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 1 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END $$$$