B8W1RQ -OEChem-04022115553D 37 39 0 0 0 0 0 0 0999 V2000 -4.2906 -0.8457 -0.1690 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5599 0.6863 -1.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 0.7556 -0.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 1.0305 2.3881 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9406 -1.5489 0.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4848 0.6067 -0.6733 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8313 -1.6165 0.1898 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -0.0776 -0.4545 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 0.8247 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6865 0.8313 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6011 0.7783 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5302 0.9426 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0497 0.9263 1.3524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0071 -0.4006 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1862 0.6705 -1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5272 -0.4903 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8118 -1.3208 0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5908 0.6034 -0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2005 -1.2371 0.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9795 0.6871 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 -0.2332 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -0.5904 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8244 0.7645 -0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1604 -1.3906 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7195 -0.2086 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2071 -0.1474 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 1.2188 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 1.4928 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 1.0495 2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 0.5587 -2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3724 -2.1070 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9882 1.3257 -1.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8146 -1.9613 1.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 1.4736 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1702 1.7269 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7846 -2.2137 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7897 -0.0547 -0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 11 1 0 0 0 0 3 16 1 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 22 1 0 0 0 0 6 23 2 0 0 0 0 7 22 2 0 0 0 0 7 24 1 0 0 0 0 8 26 3 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 26 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 24 25 2 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$