B4JER3 -OEChem-04022117363D 51 53 0 1 0 0 0 0 0999 V2000 -2.7072 -0.2653 2.5787 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0468 -1.6243 -2.1748 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 -0.3911 -0.0562 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1131 3.3846 -0.2366 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 0.5310 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4123 1.0613 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6285 0.4763 1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 0.1962 -1.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4088 1.3881 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 1.1076 -1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 2.0180 -0.4588 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4716 -0.3616 -1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4107 -0.0685 1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6276 -1.3568 -1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5647 -1.0545 1.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -1.1038 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7258 1.7052 0.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3234 0.3297 0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -0.5915 1.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -0.0192 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4735 -1.2892 -1.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8318 -1.8615 1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4289 -2.2105 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8791 1.5594 -0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 0.0287 -0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 0.8278 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -0.5515 1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2589 0.3433 -2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3585 -0.8510 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7809 2.4194 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 1.2760 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1177 0.7989 -2.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8168 2.1278 -1.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9989 1.9657 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 -0.6798 -2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8649 0.6464 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8006 0.9568 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 -0.1684 2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 -1.2839 -2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2319 -2.3803 -1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 -2.0567 1.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 -0.7671 2.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2157 -1.8881 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 -0.1517 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3785 1.8428 1.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 2.4328 0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4665 3.6536 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8945 4.0365 -0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9731 0.6887 -1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 -2.5785 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8592 -3.1992 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 11 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 17 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 M END $$$$