RDKit 3D 57 61 0 0 0 0 0 0 0 0999 V2000 7.3889 1.0358 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8918 1.0244 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 1.9023 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8516 1.9434 1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0816 1.0957 0.7465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 0.1904 -0.1394 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0553 0.1005 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3972 -0.8900 -1.0905 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2104 -1.4443 -1.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 -0.8006 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.1669 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -2.3561 -1.1966 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 -0.1714 -1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6464 1.0596 -1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8072 1.5353 -1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2071 2.6393 -1.9183 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 0.4854 -1.0377 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7121 -0.6109 -0.6500 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7120 -0.8692 0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 0.1807 1.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7057 -0.0866 3.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -1.4016 3.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6493 -2.4581 2.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -2.1909 1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -1.6214 4.9557 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 0.5696 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6898 1.5971 -1.2986 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0361 1.3202 -1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 0.0341 -0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8241 -0.8077 -0.4816 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5526 -0.6699 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6013 -1.8207 0.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8562 0.0432 -0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9679 2.4332 -1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5279 1.7682 -2.2289 O 0 0 0 0 0 1 0 0 0 0 0 0 4.2166 -2.5901 -2.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6579 1.2119 -0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8091 0.0726 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8651 1.8167 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8681 2.6284 1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4195 2.6750 2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 1.1036 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.5015 -1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 1.2178 1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7153 0.7315 3.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 -3.4892 3.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6305 -3.0219 0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 -2.5794 5.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9310 0.3265 -1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9500 0.9145 -0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6894 -0.6322 -0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6243 2.1640 -2.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5739 2.6973 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4145 3.3308 -1.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9342 -3.5113 -1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2123 -2.7349 -2.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5159 -2.4222 -3.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 22 25 1 0 17 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 31 33 1 0 28 34 1 0 14 35 1 0 9 36 1 0 7 2 1 0 10 6 1 0 18 13 1 0 24 19 1 0 30 26 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 18 43 1 6 20 44 1 0 21 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 33 49 1 0 33 50 1 0 33 51 1 0 34 52 1 0 34 53 1 0 34 54 1 0 36 55 1 0 36 56 1 0 36 57 1 0 M CHG 1 35 -1 M END