B4GM0A -OEChem-04042101363D 44 45 0 0 0 0 0 0 0999 V2000 -5.6707 -0.4450 -0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -0.8259 -0.8456 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2868 -1.1137 1.1268 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9591 -0.9197 -1.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5219 1.2474 0.2868 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 -0.6330 -1.5662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2137 -0.7976 0.6383 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9862 1.1574 0.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5815 2.9550 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2676 0.7959 -0.2063 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9385 -0.5488 0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.7139 0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1075 -0.4829 -0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3857 -0.6971 1.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 -0.5653 -0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 -0.7797 1.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 -0.8755 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -0.7513 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7697 -0.3100 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3049 -0.4408 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4953 0.3441 -1.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 0.7367 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5657 0.0826 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7561 0.8676 -1.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 1.6354 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0085 1.0782 1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5154 -0.3587 -1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0133 -0.7434 2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1457 -0.5042 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5845 -0.8939 2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5387 -0.9048 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7203 -0.0428 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 -1.8343 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7817 -0.9656 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0831 0.4489 -2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9242 -0.0590 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 1.3762 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3770 1.5979 2.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1434 0.0198 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9978 1.5452 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8991 3.6911 0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5534 3.2304 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1739 -0.2098 -0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2090 1.1663 -0.2827 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 8 1 0 0 0 0 1 11 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 8 25 2 0 0 0 0 9 25 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 25 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 24 2 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$