B41BEC -OEChem-04012114513D 54 57 0 0 0 0 0 0 0999 V2000 -3.9291 3.3967 0.1315 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8898 -1.6491 -0.6298 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4043 1.9462 -0.2509 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 -2.9917 -0.7254 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -0.5031 -0.5246 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 -2.7406 -0.4414 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3373 0.4485 0.1294 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4067 0.7955 0.4175 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8691 2.7430 -0.1911 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2729 1.7683 0.1148 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0504 4.1373 -0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 -0.3276 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2741 -1.8296 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 -1.4106 -2.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1332 -1.5414 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9972 -2.7093 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6639 0.2709 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4528 -0.3704 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7839 -1.5921 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6887 -1.3937 -3.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 -2.4892 -2.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 -0.4022 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 1.6865 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5273 -2.7692 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 -0.3892 2.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6519 -2.7563 2.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0332 -1.5662 2.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 1.9427 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4357 2.8912 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2313 3.1660 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 4.2388 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3705 -0.4324 -1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7689 0.4154 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3103 -0.6062 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 -2.0736 1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2029 -2.0656 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7899 -1.2996 -1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 -1.7991 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6437 -3.7383 -0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 -2.4302 -1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 -2.8855 0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2121 -2.3444 -3.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4449 -0.6024 -3.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 -1.2134 -4.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2115 -3.4947 -2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -2.4396 -1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1619 -2.3686 -3.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9906 -3.7123 1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8047 0.5260 2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2848 0.8260 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4517 -3.6726 3.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2926 3.6531 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3536 -1.5558 3.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 5.2461 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 3 23 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 41 1 0 0 0 0 7 18 1 0 0 0 0 7 23 2 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 8 50 1 0 0 0 0 9 23 1 0 0 0 0 9 29 1 0 0 0 0 9 52 1 0 0 0 0 10 28 2 0 0 0 0 10 29 1 0 0 0 0 11 29 2 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 32 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 19 22 1 0 0 0 0 19 24 2 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 25 2 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 53 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 31 54 1 0 0 0 0 M END $$$$