B3DIH1 -OEChem-04022105463D 40 42 0 1 0 0 0 0 0999 V2000 -1.1605 -0.3633 0.7664 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 1.0688 1.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -0.3320 -0.3066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0483 3.7035 -0.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8251 -2.2567 -0.3554 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -0.2147 -0.1334 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6894 -1.5941 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -1.5163 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 -0.8251 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6878 0.5652 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3977 0.5029 0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 0.2461 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2141 -0.4499 0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 0.2927 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0403 1.6364 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 -1.9063 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 2.3519 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3085 1.6796 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 -2.4734 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 -2.7832 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.7038 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 4.3717 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9671 0.3822 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8636 -2.2559 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9006 -2.0473 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2525 -2.5264 -1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7216 -0.9686 -2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3712 -1.4401 0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9617 -0.7541 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4777 0.9800 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5382 1.2450 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9679 2.1805 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 2.1708 -0.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6799 -3.5467 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4712 -2.9360 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3725 -2.4110 1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 -3.7849 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 4.0545 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0203 4.2607 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 5.4398 -0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 5 21 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$