BSPE91 -OEChem-04042105523D 56 61 0 1 0 0 0 0 0999 V2000 3.6055 3.8535 0.0458 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3153 -2.4792 0.7726 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 2.6501 0.5363 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -2.9509 1.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 2.4979 -0.0975 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.4496 -0.2363 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7307 1.8760 -0.2665 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8342 0.5616 0.0584 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 -3.7703 -0.5555 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7262 -0.4698 -2.1896 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 -0.8875 -0.1943 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.4954 -2.7215 -0.6927 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0452 -0.2681 0.6241 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0331 -0.6813 2.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1446 0.6800 0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3422 0.4649 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -1.8984 2.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 2.0668 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 1.8610 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 0.1919 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 -0.2099 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -2.6407 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0336 2.9439 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5391 1.0667 0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6748 0.5289 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 2.5110 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 2.4423 0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -0.1251 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 -1.0094 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0315 1.2786 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5597 0.1087 -1.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7185 -1.6242 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2583 0.4507 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2767 -1.3235 -1.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4978 1.0558 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6127 0.2347 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1738 -1.6535 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4562 -1.1470 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5806 -2.0152 -0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 -0.9525 2.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 0.1418 2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 -1.6825 2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -2.2795 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6409 -0.8807 0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 -1.2943 -0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8722 4.0188 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 3.1831 0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 -0.4536 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6007 -3.7214 -1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 -4.6893 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0661 -1.2291 1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 0.7852 -2.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2121 -1.7767 -1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6228 2.1332 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5966 0.6850 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9841 -2.7230 -0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 32 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 5 30 2 0 0 0 0 6 13 1 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 7 26 1 0 0 0 0 8 24 1 0 0 0 0 8 30 1 0 0 0 0 8 48 1 0 0 0 0 9 22 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 31 2 0 0 0 0 10 34 1 0 0 0 0 11 33 2 0 0 0 0 11 37 1 0 0 0 0 12 39 3 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 19 26 2 0 0 0 0 20 24 2 0 0 0 0 20 44 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 23 27 2 0 0 0 0 23 46 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 51 1 0 0 0 0 30 33 1 0 0 0 0 31 52 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 34 53 1 0 0 0 0 35 36 2 0 0 0 0 35 54 1 0 0 0 0 36 38 1 0 0 0 0 36 55 1 0 0 0 0 37 38 2 0 0 0 0 37 56 1 0 0 0 0 38 39 1 0 0 0 0 M END $$$$