B1DNB6 -OEChem-04012115253D 29 30 0 0 0 0 0 0 0999 V2000 3.6468 0.2572 -1.2041 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5453 -0.6236 -0.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 -0.8752 -1.6174 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -0.4241 1.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 -1.0983 0.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 -0.8853 1.0506 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3157 1.1088 -0.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 0.1680 -0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5725 0.2879 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0195 1.0071 -1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 2.1699 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 0.3676 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8571 1.3488 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8712 2.2902 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0892 -1.3505 0.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0172 -0.3434 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2709 -0.6945 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5445 -2.7105 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1317 1.5087 -2.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 2.9126 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8445 1.4603 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0935 3.1173 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -1.4821 1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9419 -0.7959 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 -1.4146 1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9786 -3.2921 0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 -2.6071 -0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 -3.2696 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1324 -0.8239 -1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 8 1 0 0 0 0 3 29 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 13 2 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$