BV3LN7 -OEChem-04022118363D 49 50 0 1 0 0 0 0 0999 V2000 -3.4272 2.9909 -0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6596 -3.1012 0.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.1192 -2.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 2.4947 0.7232 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5049 2.4789 2.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7383 -1.1181 0.0056 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8069 0.5976 -1.1981 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8813 -3.1293 2.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 2.4209 1.4497 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4882 0.5625 -0.5452 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6865 1.7999 -1.0216 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8207 -0.7790 -0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3325 1.9646 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4887 -2.4281 1.6179 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5705 -3.2457 0.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 -2.2719 0.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3742 -2.4118 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1839 2.0494 -1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 2.0314 1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 2.2008 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 2.1828 1.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 2.2674 0.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9423 -2.2644 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5484 -1.7888 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6846 -1.4943 -2.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 -1.0187 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8588 -0.8714 -1.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6723 0.6216 0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5741 1.7584 -2.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 -0.7575 -1.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5606 -1.5876 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 -1.4413 1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9052 -0.5399 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 -3.7028 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -4.0866 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2818 1.4667 -0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3886 -0.1569 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2465 1.9974 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1157 1.9758 1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8787 3.7560 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5328 -2.5516 3.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0657 -3.2560 3.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 2.2649 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0566 2.2318 2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -2.7495 -1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8932 -1.8925 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 -1.3833 -3.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 -0.5370 -0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3588 0.2407 -2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 40 1 0 0 0 0 2 16 2 0 0 0 0 3 27 1 0 0 0 0 3 49 1 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 33 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 14 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 2 4 -1 9 1 M END $$$$