RDKit 3D 58 61 0 0 0 0 0 0 0 0999 V2000 -0.8066 0.0632 -4.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 1.2041 -4.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 0.8743 -2.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5604 0.5261 -1.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1306 0.2867 -0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4862 0.5078 -0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9061 0.9184 -2.3214 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4687 0.4963 0.2449 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 0.0176 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 -0.6995 -0.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6904 0.3276 1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 1.1798 2.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8587 1.0449 2.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 0.1320 2.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9047 -0.3099 1.0998 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5112 -0.2810 0.6810 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9968 0.8992 1.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5167 1.0671 2.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9412 2.1429 3.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8526 3.0790 3.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3644 2.9015 1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9448 1.8246 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3656 4.4185 4.1656 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2078 5.8320 3.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5738 -1.2657 0.5008 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 -2.4112 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4972 -3.3032 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3747 -4.4757 -1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1488 -4.7614 -1.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 -3.8743 -1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2579 -2.7560 -0.8596 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.5210 -5.4395 -1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 -0.1119 -4.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 -0.8710 -4.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9857 0.3059 -6.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 1.4332 -4.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 2.1047 -4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6322 0.4276 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2084 0.7161 1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8161 1.8381 2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 1.5602 3.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5949 -0.2823 2.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2764 -0.7920 1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1837 0.3571 3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5564 2.2431 4.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1086 3.5884 1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 1.7320 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 5.7966 2.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 5.8407 2.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3297 6.7616 3.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4891 -0.8324 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 -3.0813 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 -5.6707 -2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8856 -4.0339 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 -2.1425 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4167 -6.2374 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5506 -5.8825 -2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4783 -4.9331 -1.1082 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