BX5KM9 -OEChem-04042106053D 38 39 0 0 0 0 0 0 0999 V2000 -1.9422 3.2944 -0.5560 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3572 -1.1557 -0.9008 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2447 -0.9985 1.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1672 1.3140 -0.3129 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4927 0.6869 -0.3887 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 -1.5860 -0.2566 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 -0.9722 0.1543 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4163 -1.2245 -0.3567 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 -3.5007 0.0356 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -3.1174 0.9289 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6424 -1.8751 0.3073 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 -0.2446 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 0.0059 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7945 -1.0057 -0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 -0.2784 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3128 -0.4518 -1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3075 -0.7271 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 -0.6020 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5604 -0.5197 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6838 -0.6931 -1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4844 1.5796 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4243 -2.3836 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5972 4.1181 0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2725 -2.0059 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 5.5744 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8789 6.7686 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6207 -0.1179 2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 -0.4280 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -0.5388 2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 -0.8501 -2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8735 -2.5576 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5729 3.7386 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 3.8693 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8524 -3.3412 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4916 -3.7347 1.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2173 -2.5442 0.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1150 -1.1023 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9887 7.8278 0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 13 1 0 0 0 0 4 21 2 0 0 0 0 5 18 2 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 31 1 0 0 0 0 7 17 1 0 0 0 0 8 24 2 0 0 0 0 9 22 3 0 0 0 0 10 24 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 24 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 20 2 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 23 25 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 25 26 3 0 0 0 0 26 38 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$