B5WEG3 -OEChem-04022116343D 82 87 0 1 0 0 0 0 0999 V2000 -2.7582 2.6673 0.3972 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 1.0764 -1.1303 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8251 3.7488 -1.3664 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9472 1.0810 -1.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2434 -2.9237 0.2653 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6339 -1.3925 1.9507 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5711 1.4239 0.8411 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5787 0.9154 -0.7729 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 2.2780 -0.0222 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5781 2.4051 -0.5951 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5961 0.4207 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4971 -0.3471 -0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0442 -2.0499 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 -0.6470 1.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4038 0.7164 -0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 -0.9800 0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5608 0.4172 1.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8396 -1.7326 -0.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4421 -0.3367 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9969 -2.0309 1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 1.6644 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 3.0273 -0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4567 2.1854 -0.0783 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8430 2.8065 -0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1836 -0.0567 -0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0696 1.1206 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 0.0385 0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 2.9929 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -1.3322 -1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0591 1.0373 1.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -1.0404 1.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2744 2.0533 -0.9137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 -0.0471 2.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 -1.8723 -1.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1619 -2.0079 -1.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 -1.0797 2.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0397 -3.0879 -2.4508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 -3.2235 -1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1806 -3.7635 -2.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7319 1.6513 -1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0476 0.6087 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 -0.7052 -0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3407 -1.6768 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5182 -4.0026 1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0642 -0.1275 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5795 -3.0382 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3332 -0.6396 2.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8617 1.7125 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7665 0.7306 -1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3631 -1.2096 1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2678 -1.0335 -0.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0216 1.4065 1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0083 0.2195 2.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1741 -1.7587 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6075 -2.4988 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2384 -1.0781 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9298 0.6420 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7676 -2.8023 1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4445 -2.2713 2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5880 1.9873 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4646 4.0861 -0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9257 2.9622 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4403 2.0684 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 3.4435 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 3.8174 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 1.8278 1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5287 -1.8680 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8852 -0.0748 3.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1154 -1.3557 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 -1.6026 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2409 -1.9188 3.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 3.2219 -0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 -3.5079 -2.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2312 -3.7504 -1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -4.7102 -2.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5698 2.3488 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5296 1.2168 -2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3094 0.9667 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -1.0810 -1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8048 -3.9943 1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4065 -4.9408 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5449 -3.9331 1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 21 2 0 0 0 0 3 24 2 0 0 0 0 4 32 2 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 43 2 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 7 60 1 0 0 0 0 8 23 1 0 0 0 0 8 25 2 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 9 28 1 0 0 0 0 10 32 1 0 0 0 0 10 40 1 0 0 0 0 10 72 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 45 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 13 46 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 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 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 31 2 0 0 0 0 28 32 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 33 1 0 0 0 0 30 66 1 0 0 0 0 31 36 1 0 0 0 0 31 67 1 0 0 0 0 33 36 2 0 0 0 0 33 68 1 0 0 0 0 34 37 1 0 0 0 0 34 69 1 0 0 0 0 35 38 2 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 37 39 2 0 0 0 0 37 73 1 0 0 0 0 38 39 1 0 0 0 0 38 74 1 0 0 0 0 39 75 1 0 0 0 0 40 41 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 42 2 0 0 0 0 41 78 1 0 0 0 0 42 43 1 0 0 0 0 42 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 M END $$$$