RDKit 3D 50 54 0 0 0 0 0 0 0 0999 V2000 -4.4243 -2.0551 1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0846 -2.3624 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 -1.8526 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0853 -1.0033 -1.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 -0.7160 -0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 -1.2365 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3706 -0.4326 -2.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0109 0.1383 -1.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0653 -0.1844 -2.6467 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 0.4050 -2.0521 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7215 1.0703 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 1.0208 -0.9355 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 1.7926 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 1.8831 1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 2.6360 2.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 3.2993 1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 3.2218 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6205 2.4643 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1283 4.0254 2.1776 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7476 2.1452 -0.1014 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4404 1.0488 1.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0269 -0.2242 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 -0.3719 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3019 0.4981 -0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 -0.0388 -1.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5370 -1.4138 -1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5362 -2.2944 -0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -1.7292 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3736 -2.4193 0.2354 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 -1.5126 0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 -1.9129 1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3647 -0.9568 1.8249 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -3.1490 1.5405 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.9283 -2.4492 2.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 -2.9835 1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 -2.1094 -0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9873 -0.0735 -1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1495 -0.9958 0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 -1.2445 -2.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9882 0.3318 -2.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5629 1.3184 1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 2.6849 3.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3238 3.7528 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7748 2.4401 -1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2428 1.6207 1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7073 0.8996 1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2165 1.5686 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2097 0.6279 -1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4117 -1.8089 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5963 -3.3633 -1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 16 19 1 0 11 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 6 1 1 0 12 8 1 0 18 13 1 0 30 22 2 0 28 23 1 0 1 34 1 0 2 35 1 0 3 36 1 0 5 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 14 41 1 0 15 42 1 0 17 43 1 0 18 44 1 0 21 45 1 0 21 46 1 0 24 47 1 0 25 48 1 0 26 49 1 0 27 50 1 0 M CHG 1 33 -1 M END