RDKit 3D 43 46 0 0 0 0 0 0 0 0999 V2000 5.1397 0.8846 1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9664 0.0615 0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -1.4258 1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 0.4291 -0.9422 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3238 1.8217 -1.0859 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8344 -0.0918 -1.6843 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 -0.5362 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4883 -1.6053 -2.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4222 -2.3904 -2.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -2.1023 -2.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 -1.0446 -1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9561 -0.2249 -0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.8360 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 1.0234 0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 0.1605 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3905 -0.8587 -1.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 0.3266 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4382 1.3610 1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 2.2309 1.5162 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 2.1073 1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2302 2.8102 1.7214 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 3.4740 2.6613 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9212 1.4915 1.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4324 2.5322 1.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8050 0.2859 1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4136 -0.3253 -0.3178 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9992 -0.5918 -0.2998 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3517 -1.9999 -0.5920 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 0.7055 2.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 1.9560 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0695 0.6351 0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 0.3689 1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3817 -1.6257 2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0806 -1.7845 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3469 -2.0246 0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 -1.8331 -2.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5824 -3.2224 -3.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -2.7248 -2.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 1.5428 0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8535 0.6047 0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6821 -0.4065 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6715 0.3253 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -1.1560 -1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 19 22 1 0 18 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 12 7 1 0 16 11 1 0 20 14 1 0 27 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 13 39 1 0 25 40 1 0 25 41 1 0 26 42 1 6 27 43 1 0 M END