BB31DW -OEChem-04022113113D 37 39 0 0 0 0 0 0 0999 V2000 -1.2094 -2.0617 0.0443 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 1.1405 1.5163 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8585 2.8939 0.2344 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -2.4806 -1.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6616 -3.0537 0.9543 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3507 1.3158 -0.0908 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0449 -0.8759 0.9506 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4770 -0.0447 -0.7875 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 0.9186 -0.9198 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1827 -0.6541 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2316 0.0925 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -1.1260 -0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 0.5646 0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 -0.9064 1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 0.3450 -1.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 -0.8657 -1.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 0.3043 1.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1581 -0.1317 -2.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 -0.4298 2.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5384 0.6456 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2635 2.7575 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 -0.0253 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7317 1.6775 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4322 -1.4347 2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9869 0.9155 -2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6702 -1.2144 -2.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0952 0.6712 2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1484 0.0720 -3.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2617 -0.6242 3.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8429 -0.8193 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3443 1.3537 -0.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 0.0875 -1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9197 -0.0569 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0067 3.1726 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 3.2005 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 3.0772 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8704 1.0232 -1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 23 2 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 22 2 0 0 0 0 9 23 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 14 19 2 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$