LK1V3L -OEChem-05032301393D 39 41 0 1 0 0 0 0 0999 V2000 -3.7519 2.6848 -0.3365 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6594 -1.8224 1.5763 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1806 -1.0629 -0.4744 N 0 0 1 0 0 0 0 0 0 0 0 0 2.7599 0.8654 -1.6468 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 -1.1292 1.0779 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 0.0356 1.7938 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9361 1.5591 0.3625 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0723 0.0799 0.1895 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4109 -1.4141 0.2390 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9300 0.1472 -0.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1837 -2.1256 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1582 -1.3832 -1.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2574 0.9497 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0822 -0.5510 -1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8893 -0.4862 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 0.2934 -2.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9282 0.4029 -0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7706 3.1043 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8801 0.6636 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -0.8113 1.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7068 0.3844 1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2998 -1.6488 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 0.1189 -1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 1.0431 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8173 -2.9322 0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 -2.5445 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5352 -1.2950 -2.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 -2.4297 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0786 0.8494 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6476 0.6443 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8267 -2.7802 1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 0.5409 -3.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3647 1.5278 -2.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0054 2.5457 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7539 2.9047 1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5567 4.1708 1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6684 -1.2999 2.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0212 2.0312 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6138 1.7268 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 31 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 33 1 0 0 0 0 5 15 1 0 0 0 0 5 20 2 0 0 0 0 6 19 2 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 20 37 1 0 0 0 0 M END $$$$