RDKit 3D 48 51 0 0 0 0 0 0 0 0999 V2000 -0.2348 3.1515 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5424 1.9172 0.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4693 0.9712 0.2181 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 -0.4057 0.0639 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9763 -1.2842 0.7641 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -1.0674 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2631 -2.1089 0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6266 -1.9050 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0502 -0.6119 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 0.4475 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 0.2117 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 1.3205 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2221 2.4806 0.1907 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6143 -3.0544 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8326 -2.7888 0.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1513 -4.2010 0.6209 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.9598 -0.9564 -1.6787 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 0.1006 -2.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 -0.2307 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -1.4824 -1.8743 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 -1.9404 -1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7686 -3.0779 -1.5614 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1061 -0.9744 -0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 -1.3074 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0223 -0.3561 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4796 0.9247 1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2248 1.2252 0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5294 0.2852 -0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 0.6397 -0.8861 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2354 1.9611 1.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 3.0983 1.9571 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3648 1.6137 2.2843 O 0 0 0 0 0 1 0 0 0 0 0 0 0.2437 2.8899 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 3.8081 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 3.7300 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3974 1.4121 1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9876 2.2351 1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -0.5550 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7413 -2.2580 0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9417 -3.1069 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1038 -0.4386 -0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4907 1.4478 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1158 1.1534 -2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4786 -0.0901 -3.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -2.1502 -2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 -2.2902 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9905 -0.5983 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7983 2.2150 0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 8 14 1 0 14 15 2 0 14 16 1 0 4 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 26 30 1 0 30 31 2 0 30 32 1 0 12 3 1 0 11 6 1 0 29 19 2 0 28 23 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 4 38 1 1 5 39 1 0 7 40 1 0 9 41 1 0 10 42 1 0 18 43 1 0 18 44 1 0 20 45 1 0 24 46 1 0 25 47 1 0 27 48 1 0 M CHG 2 16 -1 32 -1 M END