LK1V3L -OEChem-05032301152D 39 41 0 1 0 0 0 0 0999 V2000 9.2992 1.0726 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0405 2.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.0664 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -1.6998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 0.8945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3701 1.8730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7094 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4892 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2120 0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0588 1.2839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 2.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -0.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -0.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5057 2.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7864 2.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1416 -0.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 0.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8499 3.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.2891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9589 0.0983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 0.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4652 1.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2050 0.0000 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 9 2 1 1 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 6 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 $$$$