B1EWL2 -OEChem-04012117262D 59 62 0 1 0 0 0 0 0999 V2000 4.4727 0.9746 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6495 1.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0067 0.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -0.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 -0.4267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0497 -0.2152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6333 -1.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0497 -1.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1035 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1035 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3604 0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3389 0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -2.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 0.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6122 0.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0942 -1.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0942 -0.6052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7987 -2.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5871 -2.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3398 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7465 0.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 0.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8345 -0.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0379 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2408 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3748 -2.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1719 -2.4949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2562 2.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3058 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5088 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -2.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9063 -1.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 1.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 0.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4213 0.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 0.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -0.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 30 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 3 47 1 0 0 0 0 4 18 2 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 6 31 1 0 0 0 0 7 28 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 6 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 17 2 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 17 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 M END $$$$