BD9GE4 -OEChem-04022106432D 49 53 0 0 0 0 0 0 0999 V2000 9.9562 -0.3976 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.0777 -0.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0777 -2.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6198 -1.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -0.3202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4288 0.3651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4507 0.5730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 2.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 0.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -0.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 0.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1314 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1314 -2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3994 -1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 -0.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3684 0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 -0.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2654 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2654 -2.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3994 -2.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 0.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6613 -1.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5334 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 0.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -0.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9507 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4271 1.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7204 -1.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9256 0.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1975 1.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2654 -0.0094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0383 1.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 -1.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2654 -3.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8625 -2.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 -1.4218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1221 -2.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1221 -1.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 1.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 -1.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 -0.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7478 -1.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 -1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 30 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 30 1 0 0 0 0 5 29 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 26 2 0 0 0 0 7 30 2 0 0 0 0 8 31 3 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 23 2 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 20 2 0 0 0 0 14 22 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 27 1 0 0 0 0 23 31 1 0 0 0 0 24 28 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$