BH1NI5 -OEChem-04012115452D 43 46 0 1 0 0 0 0 0999 V2000 5.5047 1.0337 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3697 -2.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9414 0.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -0.0905 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7102 -1.0812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3291 0.6782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 -0.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 -1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 -1.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 0.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 0.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 -0.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3137 0.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 -1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0094 0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6814 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3148 1.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6587 -0.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2921 1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 0.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3307 -1.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5974 2.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 -1.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 -1.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6855 -1.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2808 -1.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9199 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1579 1.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 0.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.2524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8688 -0.4848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 -1.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4921 -1.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8981 1.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8716 -1.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7473 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7899 -0.7317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1878 2.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7867 2.8277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0070 2.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1307 1.3466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 15 2 0 0 0 0 3 22 1 0 0 0 0 3 43 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 34 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 9 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 11 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$