B3SUM9 -OEChem-04022108433D 50 52 0 1 0 0 0 0 0999 V2000 3.4188 -2.1259 -2.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 0.7569 -0.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4223 1.0808 -0.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3994 -0.7757 -0.0808 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 -0.6939 0.4551 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 -0.4924 0.4458 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6517 -0.0726 -0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5741 -0.3766 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4143 1.4324 -0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5821 -0.6252 1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8869 0.3962 0.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 2.2019 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2666 -1.2805 0.7174 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6480 1.8957 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -2.2835 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9157 -1.7374 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 -0.2763 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2282 -0.0174 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4447 -0.5931 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1586 1.2064 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6252 0.0738 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 1.8735 -0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 1.3071 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1384 0.0237 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2197 -0.8979 0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1376 -0.4325 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -0.1092 1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -1.4522 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 1.6289 -1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 1.8283 0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.4209 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0562 -1.1856 1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8411 -1.7888 1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4929 0.2083 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 0.0294 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2369 1.9392 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 3.2778 -0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2017 2.2892 1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6061 2.4099 0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 -2.3747 -1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 -3.2687 0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1602 -1.5906 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4822 -1.5548 0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2446 1.7077 -0.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 2.8340 -1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4418 1.8828 -0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8136 -1.3928 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0978 -1.0586 1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2017 -0.4526 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1615 -1.8570 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 2 0 0 0 0 3 24 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 42 1 0 0 0 0 6 21 1 0 0 0 0 6 24 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 M END $$$$