HMDB0030242 RDKit 3D (E)-Herclavine 43 44 0 0 0 0 0 0 0 0999 V2000 -8.0618 0.0196 -0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0836 -0.8690 -1.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7391 -0.5591 -0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3514 0.6317 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9992 0.9702 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0145 0.1215 -0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5722 0.4492 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0293 -0.0741 0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 0.2564 0.6864 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 1.5323 1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3408 -0.6706 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 -1.7506 -0.3197 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 -0.5958 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 0.3436 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 0.2830 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7339 -0.7447 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1352 -0.7138 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8507 0.3506 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1472 1.3981 0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7839 1.3564 0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 -1.0588 -1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7598 -1.3900 -1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9158 1.0255 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0595 -0.3553 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9426 0.0853 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0654 1.3343 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7112 1.9076 0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 1.5770 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0246 0.0250 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1206 -1.1777 0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5444 0.3893 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 1.9600 1.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1621 2.2373 0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 1.4382 2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3331 -1.4614 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1331 1.2168 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 -1.6154 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6647 -1.5449 -0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9500 0.3697 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7117 2.2407 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2323 2.1961 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -1.7340 -1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0624 -2.3255 -1.8831 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 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 6 21 1 0 21 22 2 0 22 3 1 0 20 15 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 10 32 1 0 10 33 1 0 10 34 1 0 13 35 1 0 14 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 M END