HMDB0006406 RDKit 3D Ecgonine methyl ester 31 32 0 0 0 0 0 0 0 0999 V2000 4.3208 0.6051 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9943 0.4868 -0.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1186 -0.4947 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 -1.3059 1.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7377 -0.5563 -0.2835 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0413 0.7056 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7423 1.1870 -1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 0.5391 -1.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 -0.3630 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4098 -1.6945 -0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -1.7741 0.1680 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0542 -1.9143 1.5389 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1683 0.3946 0.8632 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 1.6206 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0049 0.2313 -0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6191 1.6522 0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4943 -0.0369 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -0.6346 -1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5638 1.4935 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1459 0.8077 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7616 2.2729 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 1.3057 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3012 -0.0527 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0445 -0.5156 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3441 -1.7586 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0308 -2.5425 -0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -2.6832 -0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4345 -2.8053 1.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 1.4099 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 2.0121 2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 2.4083 0.4161 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 9 13 1 0 13 14 1 0 11 5 1 0 13 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 6 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 6 12 28 1 0 14 29 1 0 14 30 1 0 14 31 1 0 M END