B5JKC7 -OEChem-04022106143D 40 42 0 0 0 0 0 0 0999 V2000 5.0418 -0.5421 0.5286 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 0.1945 -0.2006 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4133 0.2557 -1.6275 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6975 -0.0948 -1.3429 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8436 -0.8627 -0.2074 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6277 1.8888 0.0555 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6735 0.0696 0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 0.3612 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3785 0.7227 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6566 -0.2529 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 -0.2378 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1954 -1.1550 1.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 1.2927 1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 2.0270 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 -1.6238 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 1.5647 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 -1.9367 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 2.4641 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6817 -3.2750 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8177 -3.9201 0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0895 3.0600 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 -1.4223 2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2252 -0.9799 1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1002 -2.0294 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6083 1.1250 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1363 2.1748 1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9043 1.5372 2.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8353 2.7998 -0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3488 -0.2269 -2.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1274 -2.3000 -0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4727 3.5318 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6744 -3.2213 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0809 -3.9352 -1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2918 1.1289 -0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -4.0334 1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2735 -4.9112 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4464 -3.3100 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6585 3.1215 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1783 3.0195 0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 3.9724 0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 11 1 0 0 0 0 4 29 1 0 0 0 0 5 17 2 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$