BJC8E2 -OEChem-04022109133D 37 39 0 1 0 0 0 0 0999 V2000 -2.9754 1.1425 -1.6996 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4786 3.9571 0.8550 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2869 2.8468 0.3416 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 2.0824 1.8759 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3456 2.6274 -1.6165 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 0.5851 -0.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 -0.3358 -0.4612 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2245 1.9604 -0.3639 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2490 1.7955 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 0.3065 -0.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9989 2.7291 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 -0.3233 -0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9408 0.1753 -0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -1.1533 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8314 0.4475 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8413 -1.7015 -0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 -1.2279 1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0747 -2.2787 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0815 -0.1577 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0913 -2.3068 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2115 -1.5347 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 -2.4782 1.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4181 -3.5290 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 -3.6288 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 2.0428 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9054 2.3556 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 2.7471 -1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 1.5211 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9854 -2.3264 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 -0.3366 1.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6332 -2.2104 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 0.4428 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 -3.3790 -0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 -2.0061 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 -2.5560 2.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2432 -4.4249 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -4.6023 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 2 0 0 0 0 16 29 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 23 2 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$