RDKit 3D 55 58 0 0 0 0 0 0 0 0999 V2000 7.1505 2.9685 -1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 2.3262 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 1.5255 -0.4651 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7728 0.2457 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5737 -0.2573 -1.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1621 -0.4866 0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -1.8317 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9594 -2.5497 1.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 -1.9301 2.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -0.5862 2.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2714 0.1241 1.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 0.0654 3.5358 N 0 0 0 0 0 2 0 0 0 0 0 0 1.4484 -0.5497 4.0127 S 0 0 0 0 0 6 0 0 0 0 0 0 1.4896 -1.8643 4.6547 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 0.4093 4.7027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4914 -0.8727 2.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4659 -2.1539 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2905 -2.3882 0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0395 -1.3536 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -0.0725 0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 0.1731 1.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 1.0041 0.2615 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7118 0.9321 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 1.9842 -1.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2503 -0.4339 -1.0784 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9372 -1.6843 -1.2719 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1035 -0.3823 -2.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6164 -0.4217 -3.4811 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4775 -0.2997 -2.1821 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3633 -0.2447 -3.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7581 -0.3471 -2.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5982 0.3516 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2059 -0.0748 -0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 3.5594 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 2.2093 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5249 3.6220 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9470 1.7400 -2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0953 3.1045 -1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1891 -2.3213 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2253 -3.5924 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6819 -2.5149 3.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 1.1730 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0425 -2.9536 2.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2846 -3.3819 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 1.1554 2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5286 1.9362 0.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8628 -0.7826 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2119 0.7192 -3.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1407 -1.0509 -4.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5235 0.1102 -3.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 -1.3992 -2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3739 0.0786 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6290 1.4387 -1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7174 0.6837 -0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2371 -1.0232 -0.3960 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 11 6 1 0 21 16 1 0 26 19 1 0 33 29 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 7 39 1 0 8 40 1 0 9 41 1 0 11 42 1 0 17 43 1 0 18 44 1 0 21 45 1 0 22 46 1 0 25 47 1 1 30 48 1 0 30 49 1 0 31 50 1 0 31 51 1 0 32 52 1 0 32 53 1 0 33 54 1 0 33 55 1 0 M CHG 1 12 -1 M END