BEM2S1 -OEChem-04022104283D 39 42 0 0 0 0 0 0 0999 V2000 -4.0302 0.1965 -1.5710 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8181 1.8466 0.7064 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6786 -1.6298 -0.5112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3025 -1.2131 0.2735 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4096 -2.1698 -0.3412 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1468 -4.6344 -0.0279 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 0.0727 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 1.4160 0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -0.2918 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 -1.1398 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 2.8301 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 2.3355 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7092 0.5931 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 2.6805 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4218 1.9292 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6634 -2.2867 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8822 1.6305 -0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0363 3.5911 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9945 -2.0485 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 1.4910 -0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4236 3.4518 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 -3.5858 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0403 2.4016 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -3.1019 0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 -4.3645 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5662 2.7246 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 3.8256 0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9551 3.3840 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7078 0.2691 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 -0.3441 0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 2.6659 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 0.9252 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 4.4127 1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3335 -1.0520 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0236 4.1605 1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 -3.8728 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1221 2.3053 0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 -2.9400 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 -5.2199 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 5 10 2 0 0 0 0 6 22 1 0 0 0 0 6 25 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 22 2 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 24 2 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$