L1JMD6 -OEChem-05022323372D 43 46 0 0 0 0 0 0 0999 V2000 2.7056 -1.4351 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4436 2.1475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 0.3202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 0.6064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8855 0.6134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9795 2.1342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -4.1408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -0.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.9351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 -0.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -0.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -2.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9834 1.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -3.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8436 2.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7116 2.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8398 3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5757 2.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7039 4.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5718 3.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7029 -2.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4999 -2.9100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1795 -2.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 -1.8274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4108 -0.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 1.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 0.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 -0.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1078 0.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1849 1.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4414 2.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 1.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3017 3.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7015 4.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1076 3.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9794 2.4596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 24 1 0 0 0 0 2 43 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 13 2 0 0 0 0 4 17 1 0 0 0 0 5 16 1 0 0 0 0 5 17 2 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 6 38 1 0 0 0 0 7 20 3 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 15 20 1 0 0 0 0 16 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$