HMDB0030202 RDKit 3D Fumigaclavine A 44 47 0 0 0 0 0 0 0 0999 V2000 3.2759 -3.4333 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4188 -2.6131 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -3.0854 1.2096 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0119 -1.3459 -0.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1814 -0.5092 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0827 0.6097 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 0.6230 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5175 1.9787 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8706 2.0950 -0.3913 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6304 3.4861 -0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3118 1.3216 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 1.5015 -1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5512 0.8435 -1.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8911 1.0647 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 0.1166 -0.6098 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -0.6913 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 -1.7934 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6586 -2.3807 1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.9021 1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 -0.8017 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4768 -0.2455 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 -0.1584 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8938 -3.4214 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3295 -3.1075 -0.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2579 -4.4961 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 -1.1092 1.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.4550 2.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 0.0863 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.0572 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7354 1.6404 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 2.7287 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7209 2.0924 1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2666 3.7568 -1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 3.8760 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 4.0439 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8893 1.6164 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 2.5759 -1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9233 0.9866 -2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3056 1.8477 -1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6362 -0.0045 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8088 -2.1836 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -3.2490 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5423 -2.3832 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0759 -0.4895 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 5 1 0 22 11 1 0 21 13 1 0 21 16 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 10 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 22 44 1 0 M END