LBVM82 -OEChem-05022323103D 37 39 0 0 0 0 0 0 0999 V2000 -4.6020 2.1021 2.3804 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7135 -2.4489 0.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4597 0.3317 -0.0332 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0707 1.1504 -0.0173 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 -4.0269 0.3389 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4396 0.7266 0.1103 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6176 2.9108 -0.1331 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 -0.3221 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9943 0.3943 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4913 -1.6686 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4778 -0.5771 0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9147 -1.8300 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 0.6342 -1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 0.8481 1.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 -0.1773 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7821 1.3282 -1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4886 -2.6998 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 0.1634 -2.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8281 1.5418 0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4088 1.7818 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 -1.1026 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1605 -0.5880 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.5277 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 1.3316 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4572 -2.7589 0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1706 0.6622 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2491 1.5241 -2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9389 0.6060 -2.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -0.9284 -2.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 0.4486 -3.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3491 2.3210 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7191 -2.1683 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0903 -4.2952 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7447 -4.7800 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0237 -1.2382 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 3.2431 -0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8419 3.5522 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 17 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 0 0 0 0 4 15 2 0 0 0 0 4 23 1 0 0 0 0 5 17 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 22 1 0 0 0 0 6 23 2 0 0 0 0 7 23 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 14 26 1 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$