B6MB3R -OEChem-04022110153D 68 71 0 1 0 0 0 0 0999 V2000 -5.0813 -1.9554 0.2880 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2253 0.8906 -0.5787 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -2.0491 1.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5657 -3.2433 -0.1948 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5879 -1.4455 1.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4175 3.2531 -0.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3449 -0.7867 -0.9502 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6158 -2.8002 -0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 -1.7715 1.6298 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 2.2865 0.2233 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 4.2549 -0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 4.1379 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 3.1449 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3757 2.9399 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8034 2.1915 -0.4789 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6745 0.4808 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 2.1229 -1.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 2.5272 0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 2.0683 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8819 -1.8604 -1.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 0.8934 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9090 1.2977 0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 -2.0402 0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 -3.0592 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1969 -2.2882 -1.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5567 -2.1745 0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 -2.6542 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6434 -1.1952 1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 -2.9522 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -1.2624 1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -3.0192 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 1.6405 1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8742 -2.2440 0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3186 2.3763 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9143 -1.1077 -2.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 1.5355 2.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 1.8673 1.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5283 4.6879 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3236 4.9688 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 3.7626 1.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 5.1411 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 4.1316 0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 2.7657 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9738 2.5498 -1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 3.6053 -1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 2.4325 -2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4538 3.1564 1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 -1.1155 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2418 -1.3708 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5996 0.2645 -2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6132 1.0145 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4112 -1.1541 -1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7648 -3.5380 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 -3.8093 -1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -2.7471 -1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0033 -3.0452 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 -0.4821 1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1653 -3.6151 -1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 -0.5855 1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7368 -3.7412 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2655 1.3724 2.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 2.7143 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 0.2846 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 -0.6481 -3.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8531 -1.4357 -2.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1487 -0.3431 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4577 1.2005 3.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5173 1.8008 1.9669 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 23 1 0 0 0 0 2 15 1 0 0 0 0 2 63 1 0 0 0 0 3 9 1 0 0 0 0 3 27 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 45 1 0 0 0 0 7 16 1 0 0 0 0 7 52 1 0 0 0 0 8 27 2 0 0 0 0 8 33 1 0 0 0 0 9 33 2 0 0 0 0 10 34 1 0 0 0 0 10 37 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 44 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 21 1 0 0 0 0 17 46 1 0 0 0 0 18 22 2 0 0 0 0 18 47 1 0 0 0 0 19 32 1 0 0 0 0 19 34 2 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 35 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 26 33 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 36 2 0 0 0 0 32 61 1 0 0 0 0 34 62 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 M END $$$$