BPCJ86 -OEChem-04022108113D 62 66 0 1 0 0 0 0 0999 V2000 -3.8246 0.3500 1.7353 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5051 2.0224 -1.6121 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5575 -0.6841 1.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 0.7014 3.0946 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 -3.0950 0.4913 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3874 3.2856 -1.0828 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8041 1.7701 0.7858 N 0 0 1 0 0 0 0 0 0 0 0 0 1.8621 -1.2321 1.6185 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0218 -0.2472 -4.0674 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 -5.3140 -1.2316 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5047 -3.7943 -0.9054 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5996 2.0177 -0.4695 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6062 3.5236 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2622 3.1181 1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8635 1.6117 -1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1296 -0.0752 1.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7012 -1.2026 1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2143 0.7219 2.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 -1.5075 1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5579 -0.7122 1.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1467 0.4074 2.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -2.5781 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8706 -2.3849 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5733 1.2435 -2.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0372 -0.6510 2.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -3.5843 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 0.3943 1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 1.1360 -1.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8927 0.5380 -3.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 0.0142 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5027 1.7462 1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6481 0.3378 -2.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9464 -4.5391 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3773 -3.7008 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9809 0.9857 -0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0828 2.7178 0.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2291 -0.3272 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8218 2.3375 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1852 4.6488 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6007 1.5715 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5681 4.0266 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 4.1127 -0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4629 3.6889 1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 3.0475 1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3165 2.0785 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 0.5212 -1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 -1.7869 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5553 1.5981 2.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 1.0294 3.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -1.4495 2.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 -0.2572 3.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 1.6709 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 0.5868 -3.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5404 -1.0340 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9378 2.0589 2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6635 0.2375 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5563 0.6835 -1.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9211 3.7488 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 -0.9637 -4.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 5.2651 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 4.8733 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1257 4.9235 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 5 23 2 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 25 1 0 0 0 0 9 29 1 0 0 0 0 9 37 2 0 0 0 0 10 33 3 0 0 0 0 11 34 3 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 18 21 2 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 24 28 1 0 0 0 0 24 29 2 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 33 1 0 0 0 0 26 34 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 35 1 0 0 0 0 30 54 1 0 0 0 0 31 36 2 0 0 0 0 31 55 1 0 0 0 0 32 37 1 0 0 0 0 32 56 1 0 0 0 0 35 38 2 0 0 0 0 35 57 1 0 0 0 0 36 38 1 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 39 62 1 0 0 0 0 M END $$$$