B3JRE8 -OEChem-04012114183D 43 45 0 0 0 0 0 0 0999 V2000 3.3693 -0.8747 -0.2548 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 -2.1560 -0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4620 -1.0349 0.2563 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6087 0.9057 -0.2546 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2414 0.7562 -0.1618 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 1.6571 0.2649 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2866 -0.2705 0.3048 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9178 -0.3625 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 1.7001 0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4933 -0.1211 -1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5552 2.0026 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9664 0.6590 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8094 -0.1322 -0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6085 0.6522 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2207 -0.3682 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5069 -1.5061 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2066 0.5568 -0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8891 -0.1460 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7136 1.1981 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8115 -1.7245 0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5112 0.3386 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8136 -0.8022 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0794 -0.9274 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4253 -0.9478 -1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8635 -0.9777 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7785 1.1723 1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3592 2.6533 0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 -1.1041 -1.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4381 0.3526 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5053 2.6569 -0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 2.5442 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4604 1.6224 0.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9452 0.1326 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8366 0.3873 -1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 -1.1211 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7331 -2.2291 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9804 1.4490 -1.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4977 1.9064 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0469 -2.6123 1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2915 1.0570 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8293 -0.9720 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4067 0.7267 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5454 -1.2793 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 23 2 0 0 0 0 3 7 1 0 0 0 0 3 43 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 14 2 0 0 0 0 6 19 1 0 0 0 0 7 23 1 0 0 0 0 7 42 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$