RDKit 3D 42 43 0 0 0 0 0 0 0 0999 V2000 5.2678 1.1028 -0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 1.2940 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1531 0.9570 0.2962 N 0 0 0 0 0 4 0 0 0 0 0 0 2.7423 -0.4743 0.0767 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1594 -1.3316 1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2648 -0.5678 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5862 -1.2689 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -1.1243 -1.1229 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 -0.3807 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 0.2592 0.8276 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5482 -0.0136 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2279 0.8077 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5473 1.2181 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1859 0.8158 0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 -0.0178 1.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 -0.4601 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5841 -1.3798 2.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 2.1207 -1.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 -2.1282 -2.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 0.0476 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 1.4695 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7413 1.6546 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 2.3461 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0699 0.6906 1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 1.5218 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6973 1.2749 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2726 -0.8119 -0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7626 -0.9407 2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 -2.3586 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2486 -1.3879 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 1.1273 -1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2049 1.1363 0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0674 -0.3315 2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3426 -1.8862 2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0047 -2.1659 1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9337 -0.8129 3.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 1.9527 -1.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0446 3.1670 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9009 1.9297 -2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 -1.5237 -2.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 -2.8976 -1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3807 -2.6293 -2.7970 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 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 13 18 1 0 7 19 1 0 10 6 1 0 16 11 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 6 5 28 1 0 5 29 1 0 5 30 1 0 12 31 1 0 14 32 1 0 15 33 1 0 17 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 M CHG 1 3 1 M END