HMDB0014497 RDKit 3D Methylergonovine 50 53 0 0 0 0 0 0 0 0999 V2000 -6.5331 -0.1190 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2423 -0.1313 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1002 -0.0606 -0.1358 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1693 1.2013 -0.9722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 2.3496 -0.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -0.0692 0.5116 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 -1.0901 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2044 -1.9467 -0.7124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5412 -1.1792 0.7616 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2548 0.0660 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 -0.0017 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 1.2658 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 2.4528 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3909 3.5692 -0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 3.4873 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4046 2.2981 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 1.8474 -0.0539 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6447 0.5127 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3237 0.0796 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 1.1960 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 -1.1942 0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 -1.2642 -0.0484 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5571 -2.3204 0.6456 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1276 -3.6256 0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1968 -2.3305 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9383 0.8866 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2541 -0.7865 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3170 -0.6542 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1676 -1.0929 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2498 0.7244 1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1434 -0.9043 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3997 1.2014 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1606 1.2482 -1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 2.5289 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5434 0.6525 1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5692 -1.3346 1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2258 1.0451 0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 2.5037 -0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 4.5361 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4181 4.3537 -0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5065 2.4541 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4828 -0.1406 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2166 -2.0588 0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5356 -1.3424 1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 -1.4743 -1.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 -3.7223 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -3.7702 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3798 -4.3715 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 -2.2206 -0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3383 -3.2548 0.3874 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 3 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 9 1 0 22 11 1 0 20 12 1 0 20 16 2 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 6 4 32 1 0 4 33 1 0 5 34 1 0 6 35 1 0 9 36 1 1 10 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 18 42 1 0 21 43 1 0 21 44 1 0 22 45 1 6 24 46 1 0 24 47 1 0 24 48 1 0 25 49 1 0 25 50 1 0 M END