B9PO4E -OEChem-04042105423D 83 85 0 0 0 0 0 0 0999 V2000 -2.2773 4.9388 -0.1986 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8624 -3.4701 0.5284 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 5.7479 0.9999 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3519 5.5841 -1.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 -1.9918 -2.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 -1.6622 2.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 -1.6853 -1.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 -1.5277 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 -1.8190 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 -0.9689 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -1.2602 -1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0939 -1.1027 1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2652 -0.7252 -2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 -2.5020 -3.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6024 -3.0872 -2.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -0.7708 3.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 -3.1267 3.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8641 -1.2790 3.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -0.5175 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5815 -2.2626 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0995 0.8117 -0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 1.4098 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 -1.5225 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0202 1.8293 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2239 1.7238 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 -1.2429 0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 2.2984 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3004 -2.0731 -1.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 -1.9153 0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6473 2.3846 0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 2.2303 -1.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 3.7418 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3668 3.3409 0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 3.1866 -1.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 -3.0166 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 -2.8586 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3730 2.5766 1.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9752 -3.4093 -0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7662 3.9927 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0749 -1.1162 -2.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -0.8582 1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 0.0629 -3.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -0.3018 -1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8812 -0.9510 -3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9805 -3.3400 -3.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -1.7163 -3.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2288 -2.8536 -4.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5483 -2.7512 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9255 -3.4440 -3.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2008 -3.9865 -1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2107 -0.5168 4.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1386 -1.2672 2.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1501 0.1794 2.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7402 -3.8553 2.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4288 -3.3432 2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -3.3338 4.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5561 -0.2296 3.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 -1.9311 3.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 -1.3995 4.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3879 2.3249 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0828 0.7314 -1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6521 2.4465 1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3236 0.8204 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3219 -0.2294 0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3894 -1.4806 1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2998 -1.2620 -0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5209 3.2278 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1892 1.5942 -0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8052 -1.7765 -2.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2882 -1.4976 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 2.0795 1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6582 1.8057 -2.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6466 3.7546 1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 3.4780 -2.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6205 -3.4451 -2.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1028 -3.1647 1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 1.6587 2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8379 3.3003 2.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3619 2.9878 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -4.1438 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6067 4.6886 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8888 3.3146 -0.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 3.4353 0.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 32 1 0 0 0 0 1 39 1 0 0 0 0 2 20 2 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 25 27 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 37 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 35 1 0 0 0 0 28 69 1 0 0 0 0 29 36 2 0 0 0 0 29 70 1 0 0 0 0 30 33 1 0 0 0 0 30 71 1 0 0 0 0 31 34 2 0 0 0 0 31 72 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 73 1 0 0 0 0 34 74 1 0 0 0 0 35 38 2 0 0 0 0 35 75 1 0 0 0 0 36 38 1 0 0 0 0 36 76 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 39 82 1 0 0 0 0 39 83 1 0 0 0 0 M END $$$$