BVM3P9 -OEChem-04012114373D 52 53 0 0 0 0 0 0 0999 V2000 1.7948 -2.3913 0.2120 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3168 0.5915 -0.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4266 -1.4157 0.2258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 -2.8506 1.5891 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8496 -3.3730 -0.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 0.6059 -1.5464 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9743 -1.1661 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 1.0367 -2.1572 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 0.6371 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7706 1.2695 -1.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 1.7562 0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9418 -0.2445 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4396 -0.2125 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2901 -1.5139 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 -0.1115 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9005 0.0343 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 -1.3931 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.9336 1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5518 -0.6919 -1.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 -0.2324 1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5738 1.2581 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 -0.0382 2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 2.4095 0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 1.3664 -1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 1.1133 2.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 2.3372 2.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.8756 -1.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 0.2770 -2.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7324 0.4993 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9313 1.9514 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6959 1.8404 -1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8445 2.4465 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5657 1.3419 1.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6038 2.3452 0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9985 -1.0569 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9132 -0.7030 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8676 0.3368 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2525 -1.0303 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -1.8300 -2.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2045 -1.0148 2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 -0.5978 -2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9066 0.2184 2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4385 -0.9761 2.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 3.3713 0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3022 1.0579 3.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7182 3.2340 2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 2.8794 -2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5426 1.2141 -2.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 1.9156 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2652 -0.0614 -2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5565 1.1563 -3.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9463 -0.5317 -3.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 13 2 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 7 16 1 0 0 0 0 7 38 1 0 0 0 0 8 24 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 2 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$