BWR3D2 -OEChem-04022109272D 49 53 0 1 0 0 0 0 0999 V2000 2.0000 2.4216 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.0425 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.1764 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 0.5556 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -2.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 2.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -0.6764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -0.6764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.6169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -2.1764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4939 -2.6764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6276 -3.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -1.1764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1279 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 -1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 2.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 3.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7779 -2.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9190 -3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0171 -3.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8398 -3.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6279 -0.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 -0.8474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7629 -0.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -0.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 1.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 1.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 0.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 2.9843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 3.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 3.3695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 20 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 24 2 0 0 0 0 7 15 1 0 0 0 0 7 18 2 0 0 0 0 8 18 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 9 43 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 29 1 0 0 0 0 11 25 1 0 0 0 0 11 27 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 1 0 0 0 13 14 1 0 0 0 0 13 34 1 1 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 6 0 0 0 16 19 1 0 0 0 0 16 20 2 0 0 0 0 17 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$