BP29QM -OEChem-04042103093D 43 46 0 1 0 0 0 0 0999 V2000 -3.3694 -2.2545 0.8874 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6341 -1.6204 -2.0472 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -2.4943 -0.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5124 -0.3395 0.8337 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 -1.1476 1.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 1.0200 0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6288 -0.8287 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4916 1.4222 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 0.2535 -0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 -1.4380 0.8121 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4367 1.9151 1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1182 -2.1375 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -1.8907 1.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 2.7884 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4506 0.0173 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 3.2631 0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -2.3460 -0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 3.6956 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9523 -1.2860 -1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7202 -0.6710 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8089 -0.5540 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9053 0.4509 0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 0.6849 -1.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1793 1.6900 0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2681 1.8070 -1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3594 -0.5877 2.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0712 -2.0726 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0229 -0.5559 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 1.5890 1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 -2.9749 0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5262 -2.8162 2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -1.1355 2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 3.1411 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9752 0.8336 -1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1535 3.9835 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -3.3511 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7491 4.7488 -0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8655 -1.4715 -1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1975 -3.2794 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8487 0.3836 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1517 0.7760 -2.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3245 2.5635 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4813 2.7716 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 18 1 0 0 0 0 14 33 1 0 0 0 0 15 19 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$