BH6S1K -OEChem-04022101413D 57 60 0 0 0 0 0 0 0999 V2000 4.9610 -0.6195 -0.1763 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0047 0.9077 0.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 0.1880 0.9417 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 3.3979 -1.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 -1.7826 -0.2397 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 0.3667 1.7523 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 3.6292 -0.4283 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 -2.3777 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -2.3934 -0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1262 -1.7744 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5825 -1.7142 0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 -3.6004 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 -0.1860 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1281 -3.6160 -1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 -0.5689 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3804 -4.2194 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6928 0.5488 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9611 -0.1452 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 -1.1658 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 1.1613 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3365 0.4490 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3353 -0.7984 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 1.5288 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0799 0.0774 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0671 0.6801 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8844 0.7708 -1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5296 1.1635 -0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3455 1.2328 1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1627 1.3237 -1.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 1.8516 -0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7986 -0.2774 1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8933 1.5546 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3161 1.4171 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1632 2.9902 -0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0953 -0.8278 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 -1.3708 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3961 -2.4488 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4748 -4.0817 -0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0075 -2.2992 -0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2596 -4.1099 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4794 -5.1711 -1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9164 -0.8066 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 -0.7366 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7649 -2.2279 0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6095 1.9414 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 -1.6130 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9791 2.5798 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6504 0.4360 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3246 0.5981 -2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9813 1.4599 -1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9142 1.4133 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5892 1.5750 -2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5371 -1.1010 1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8885 1.9853 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2084 1.8782 1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8387 3.3640 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6733 4.4318 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 24 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 15 2 0 0 0 0 4 34 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 6 31 1 0 0 0 0 6 33 2 0 0 0 0 7 34 1 0 0 0 0 7 56 1 0 0 0 0 7 57 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 2 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 16 41 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 45 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 31 2 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 26 29 2 0 0 0 0 26 49 1 0 0 0 0 27 30 2 0 0 0 0 27 50 1 0 0 0 0 28 32 2 0 0 0 0 28 51 1 0 0 0 0 29 32 1 0 0 0 0 29 52 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 M END $$$$