RDKit 3D 58 61 0 0 0 0 0 0 0 0999 V2000 2.0882 2.1307 4.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 0.8815 4.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 0.6080 2.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -0.0447 2.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1632 -0.0875 0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 0.4060 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3443 1.1531 1.5391 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 0.4925 -0.8650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8853 -0.4537 -1.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1233 -1.4189 -1.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8162 -0.1960 -2.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1134 -0.9097 -4.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0954 -0.1629 -4.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3456 0.9535 -4.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 0.9456 -2.9106 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -0.5946 0.2269 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1990 0.3716 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2157 1.7200 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2444 2.5778 0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2705 2.1086 1.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 0.7759 1.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 -0.0885 1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5895 3.2022 2.0194 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9198 3.7385 3.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -0.6182 -1.2382 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3047 -1.3674 -1.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 -2.7463 -1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 -3.4235 -2.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5704 -2.7003 -2.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5755 -1.3259 -2.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 -0.7201 -1.9273 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.3443 -4.9129 -2.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9975 2.0194 4.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4062 2.3232 5.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 3.0094 4.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8557 0.9878 4.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.0232 4.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4963 -0.4244 3.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7771 1.0930 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6724 -1.8525 -4.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5709 -0.4103 -5.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0098 1.8043 -4.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2946 -1.6014 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4131 2.1120 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 3.6148 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 0.4027 2.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 -1.1134 1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5816 4.4985 4.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9225 4.1713 3.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8628 2.8903 4.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 -1.0497 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 -3.2906 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4787 -3.1962 -2.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -0.6994 -2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4508 0.2774 -1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -5.1782 -3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2393 -5.2679 -3.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -5.4376 -1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 5 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 20 23 1 0 23 24 1 0 16 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 28 32 1 0 7 3 1 0 15 11 1 0 22 17 1 0 31 26 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 8 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 16 43 1 1 18 44 1 0 19 45 1 0 21 46 1 0 22 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 25 51 1 0 27 52 1 0 29 53 1 0 30 54 1 0 31 55 1 0 32 56 1 0 32 57 1 0 32 58 1 0 M CHG 1 31 1 M END