RDKit 3D 48 54 0 0 0 0 0 0 0 0999 V2000 4.8154 -0.5123 2.4072 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3541 -0.0522 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2772 0.1687 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4378 0.0325 -1.0295 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8991 -1.6328 -1.3416 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8328 -1.9502 -1.1368 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 -0.9142 0.2060 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1475 -1.0225 1.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 0.2551 1.3269 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4737 1.0576 0.1782 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3818 1.0721 -1.0076 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0245 2.3297 -1.0921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 0.4419 -0.2727 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1336 0.9100 -1.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3415 1.7760 -1.9532 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 0.4507 -0.8354 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9922 0.1075 -2.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 -0.5427 -1.4820 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2170 0.4808 -1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2344 0.7008 -1.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8499 1.2140 0.2415 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1373 1.7845 0.0047 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8232 0.2032 1.3499 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0672 0.3013 2.0131 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5216 -1.1839 0.9224 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7280 -1.8538 0.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -1.2932 -0.2996 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3288 -0.7957 -0.1137 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 -1.2643 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 -2.0262 1.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1086 -0.5581 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6471 1.2109 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 0.3175 -1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -1.1565 2.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 -1.9365 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6753 0.8078 2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2762 2.1027 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8049 0.9934 -1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4269 2.9685 -0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 -0.7048 -2.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 0.9650 -2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6971 -1.1946 -2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5532 2.0400 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0654 0.5118 2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2867 1.2651 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0215 -1.7375 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2809 -1.7592 1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -2.3779 -0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 26 25 1 0 25 27 1 0 27 18 1 0 18 17 1 0 17 16 1 0 16 22 1 1 22 21 1 0 21 23 1 0 23 24 1 0 21 19 1 0 19 20 2 0 16 28 1 0 28 29 1 0 29 30 2 0 7 29 1 1 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 4 1 0 4 3 1 0 3 2 1 0 2 1 2 0 4 5 1 0 5 6 1 0 10 13 1 0 13 14 1 0 14 15 2 0 23 25 1 0 6 7 1 0 28 27 1 0 13 7 1 0 19 18 1 0 2 9 1 0 14 16 1 0 26 47 1 0 25 46 1 1 27 48 1 6 18 42 1 6 17 40 1 0 17 41 1 0 21 43 1 1 23 44 1 1 24 45 1 0 8 34 1 0 8 35 1 0 9 36 1 1 10 37 1 1 11 38 1 6 12 39 1 0 4 33 1 6 3 31 1 0 3 32 1 0 M END