LGJ4D0 -OEChem-05022323573D 43 46 0 1 0 0 0 0 0999 V2000 -0.8320 0.2103 0.4941 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 3.4694 -0.8599 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 3.1227 1.3191 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 1.5129 -1.4643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5411 0.0402 -0.0424 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 0.4482 1.4722 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -0.6159 0.7659 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 -1.9202 -1.2275 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7357 1.1963 -0.0308 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8529 2.2225 -0.7174 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3535 2.2685 0.2003 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4663 0.8194 0.6830 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7333 0.5347 -0.9650 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5122 -0.5636 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 -0.0937 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 -0.6439 -1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 -0.8808 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 -1.2243 -1.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -1.8728 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7125 -0.2683 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8534 -1.1338 -0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 -2.8868 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4319 -1.2822 0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 0.1328 1.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9509 -2.5915 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 1.6615 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5479 1.8638 -1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2469 2.6432 -0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 0.7390 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 0.0974 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8412 4.1002 -1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9024 3.0741 1.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -0.6646 -1.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -1.8283 -2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 2.1457 -1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 -2.1168 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1026 0.7452 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -3.9062 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3651 -1.0520 1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1816 0.5330 2.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5108 -3.3808 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1769 -2.3136 -2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5823 -2.0877 -1.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 31 1 0 0 0 0 3 11 1 0 0 0 0 3 32 1 0 0 0 0 4 13 1 0 0 0 0 4 35 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 15 2 0 0 0 0 6 24 1 0 0 0 0 7 21 1 0 0 0 0 7 24 2 0 0 0 0 8 21 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$