LJK73F -OEChem-05032301353D 31 33 0 1 0 0 0 0 0999 V2000 -5.2471 -0.2845 -0.4643 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8559 -1.0649 -2.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 -2.0416 -0.1527 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 2.0975 -0.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9182 0.4969 0.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -1.2729 0.7074 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4268 -2.0053 0.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 1.3386 0.6221 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9051 1.2462 -0.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1076 0.3506 -0.3572 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0276 0.8464 1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1302 0.3103 1.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 -1.0470 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 0.9527 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4396 -0.0347 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 0.2732 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6794 -0.7546 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3717 1.4649 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7195 1.3004 -0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 -2.1722 0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 2.3755 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 2.2488 -0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 0.9033 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 0.7615 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 0.9129 2.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9404 -0.1064 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -0.4785 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8779 2.4097 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7361 -1.9739 -2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4183 2.0367 -1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8582 -3.1587 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 27 1 0 0 0 0 6 15 1 0 0 0 0 6 20 2 0 0 0 0 7 17 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$