L36NKQ -OEChem-05032301022D 40 42 0 0 0 0 0 0 0999 V2000 2.3660 0.2342 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8258 3.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 1.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.0432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.7168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 4.3046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 1.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1349 2.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3551 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1349 2.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4439 3.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3496 -0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3949 4.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1164 2.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0331 1.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7535 -0.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3983 -0.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 2.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -0.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2848 -0.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 -0.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 0.5372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5865 3.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9846 4.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2033 4.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 12 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$