B6I4DM -OEChem-04042104363D 56 60 0 1 0 0 0 0 0999 V2000 6.1844 0.8882 1.9984 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.9044 1.4864 1.2044 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 1.2088 -2.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1937 1.1689 0.2412 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 -0.6945 -0.5263 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1485 -1.7537 -1.3526 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 0.8499 -0.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 0.6723 -0.0059 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9433 1.4775 -0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3428 0.3546 0.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1630 0.1281 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 -0.9724 0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 1.5725 -2.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7658 2.8732 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4716 1.2715 -0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6209 -0.9178 -0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 0.9669 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0066 -1.1070 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8775 -0.2571 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 -1.7057 1.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -1.4445 -0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 0.7912 0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 -2.0018 -1.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7310 -2.9113 1.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 -2.6501 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 -3.3834 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3381 -0.1438 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5878 0.9751 0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4174 1.2180 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4635 -0.9549 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6221 1.7687 0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6681 -0.4042 0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7474 0.9576 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7407 0.6729 1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4559 0.7690 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 1.8543 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7189 2.3282 -2.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 0.6204 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7128 3.1673 -0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2954 3.6435 -0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1688 2.9034 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 -1.5702 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 1.7601 1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 -1.3505 2.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 -0.9715 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 1.4167 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 1.2434 1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5786 -2.8245 -2.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6785 -3.4830 2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -3.0305 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -4.3249 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 1.9205 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4315 -2.0214 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6923 2.8336 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5441 -1.0355 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 0.5475 1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 34 1 0 0 0 0 2 33 1 0 0 0 0 3 15 2 0 0 0 0 4 15 1 0 0 0 0 4 28 1 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 27 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 28 2 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 17 22 2 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 30 32 2 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 34 56 1 0 0 0 0 M END $$$$