RDKit 3D 57 60 0 0 0 0 0 0 0 0999 V2000 4.4644 -3.6963 -1.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -3.2473 -0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4086 -1.8037 -0.7788 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3296 -1.1693 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9356 0.0559 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 0.2932 -0.2417 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2165 -1.0270 -0.8378 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 0.7678 0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 0.8358 0.3519 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -0.4740 0.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 -0.3210 1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6149 -1.5738 1.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5634 -2.5322 2.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.5168 2.1583 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1047 -3.2262 0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5957 -2.0092 0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 -1.4771 -0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0788 -2.1788 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5662 -3.3929 -0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0887 -3.9410 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 1.7231 -1.0442 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7073 1.8132 -1.1432 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 1.2229 -2.1494 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 3.3528 -0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 3.9365 -1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 5.2196 -1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 5.9169 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 5.3233 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2946 4.0383 0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4528 6.0571 1.8502 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.1207 7.2396 2.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2561 5.4460 2.5679 O 0 0 0 0 0 1 0 0 0 0 0 0 4.4165 -3.1659 -2.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4487 -3.5062 -1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3847 -4.7694 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 -3.5169 -1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4102 -3.7763 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 -1.6679 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 0.7572 0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 1.0397 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 -0.8561 -1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5979 0.1275 1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8362 1.7644 1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -0.8237 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -1.2534 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4546 -0.0422 2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 0.5033 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 -2.5953 3.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 -4.3415 2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7242 -0.5288 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4648 -1.7676 -2.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3314 -3.9222 -1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4725 -4.8857 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8034 3.4053 -2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5894 5.6800 -1.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5572 6.9173 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1054 3.5689 0.9746 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 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 9 21 1 0 21 22 2 0 21 23 2 0 21 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 2 0 30 32 1 0 7 3 1 0 16 12 1 0 20 15 1 0 29 24 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 0 5 39 1 0 6 40 1 6 7 41 1 0 8 42 1 0 8 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 13 48 1 0 14 49 1 0 17 50 1 0 18 51 1 0 19 52 1 0 20 53 1 0 25 54 1 0 26 55 1 0 27 56 1 0 29 57 1 0 M CHG 2 30 1 32 -1 M END