B4K5EC -OEChem-04022107443D 43 46 0 0 0 0 0 0 0999 V2000 3.2431 1.0396 -0.0852 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 1.4009 0.1179 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5835 -0.9601 -0.3435 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2259 -2.9814 -0.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -2.9271 0.1597 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 0.1568 1.0529 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4521 0.1606 0.2214 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3435 -0.0991 -0.7884 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2588 2.0580 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 -0.8729 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 0.2319 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 -0.3099 -0.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 0.2128 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0077 2.9587 -1.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 2.8884 1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 -2.2613 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 0.2372 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3656 0.2187 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 0.1701 1.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8932 0.1754 0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 0.1518 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2655 0.2425 -1.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 -2.2958 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6329 0.2234 -1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0544 0.1809 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2161 1.5470 -0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0807 3.5329 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 2.3646 -2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8303 3.6698 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 3.4598 1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2135 3.5981 0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5713 2.2438 1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5792 0.2702 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0431 0.1499 2.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 0.1180 2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 0.2780 -2.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2699 -2.9028 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -2.4176 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8538 -3.9379 0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3038 0.2519 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7597 0.0941 1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2380 0.3271 -0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5121 -1.1036 -0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 3 23 1 0 0 0 0 4 16 1 0 0 0 0 4 23 2 0 0 0 0 5 16 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 20 1 0 0 0 0 6 25 2 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$