B46STP -OEChem-04042104133D 42 44 0 1 0 0 0 0 0999 V2000 2.6328 1.7475 -0.2469 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 -1.0990 -1.6378 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8914 1.7986 -1.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1044 2.8115 0.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 1.3548 0.5313 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1705 0.2635 0.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -1.0061 -0.2313 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8396 -1.9122 -0.6781 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0054 -1.8494 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -2.5253 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 -2.6316 1.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8844 1.6297 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 1.0846 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 2.0821 1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2971 0.9921 -0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 1.9894 1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 1.4445 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8396 0.1671 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2727 -1.0519 0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0298 0.1899 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8957 -2.2482 0.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6528 -1.0062 -0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0858 -2.2254 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0243 -0.8160 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4318 -2.7168 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3177 -2.5589 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4245 -1.2577 1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1045 -1.8844 1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8202 -3.5044 0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3483 -2.2100 2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8325 -3.6757 1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6048 0.2132 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9011 -2.1918 -1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 0.7379 -1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9127 2.5029 1.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8998 0.5862 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5172 2.3416 2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3581 -1.0987 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4756 1.1367 -0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4568 -3.1974 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5795 -0.9885 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5715 -3.1567 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 33 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 2 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$