B75GRU -OEChem-04022104173D 40 42 0 0 0 0 0 0 0999 V2000 4.3974 0.0841 0.3934 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 -0.0686 -0.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0961 -0.0377 1.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2876 -1.7466 -0.4256 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0313 -0.9515 0.4159 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9695 -1.2363 1.2222 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3589 2.4575 -0.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1006 0.9169 1.3321 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 -1.3615 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9692 -0.9905 -0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -0.2256 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -2.2742 -0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 -0.8422 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 -3.1835 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 1.6638 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4001 0.4422 -0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3387 1.2486 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 2.8007 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 1.2061 -1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8463 -0.3444 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4536 2.4426 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 -1.2170 -2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 -0.7283 -1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 -0.1315 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6483 0.7704 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 -2.9835 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 -2.8076 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6991 -1.2223 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0518 -3.7668 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -3.3618 -0.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3487 -3.5601 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9572 1.7126 -0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 1.7248 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 3.7633 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 2.7503 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 2.7745 1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1174 0.9108 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4219 -0.6910 2.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9518 3.2384 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3321 3.3079 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 28 1 0 0 0 0 6 13 2 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 17 1 0 0 0 0 8 20 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$