BWN25K -OEChem-04022106023D 40 42 0 0 0 0 0 0 0999 V2000 -1.0296 2.4737 -0.1214 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 3.4030 1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9943 3.4807 -1.1754 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 -1.0137 0.0343 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 -0.8783 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 0.3876 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1825 -2.0053 0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 1.5224 -0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -1.9018 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7292 0.1068 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2146 1.3861 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 0.4919 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1797 -0.6518 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1533 -0.1433 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 -3.3657 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4397 -3.1191 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9448 0.3770 1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 -0.9047 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 2.8727 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9009 -0.6253 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3185 0.1361 1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1096 -1.1456 -1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3696 -0.8834 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 1.4554 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2613 -0.5490 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8928 -3.9048 1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4609 -3.3442 0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 -3.9433 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -3.6615 1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 -3.7825 -0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 -2.8627 0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5106 0.9654 1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 -1.3153 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9246 0.5465 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5522 -1.7381 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 3.2954 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8936 -0.0965 -0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6046 -1.8498 -0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7580 -0.9125 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 4.3085 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 36 1 0 0 0 0 2 19 1 0 0 0 0 2 40 1 0 0 0 0 3 19 2 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 22 2 0 0 0 0 18 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 34 1 0 0 0 0 22 35 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 M END $$$$