HMDB0061041 RDKit 3D dehydronifedipine 41 42 0 0 0 0 0 0 0 0999 V2000 -4.2421 -0.3648 1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 -0.7877 0.8905 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4077 -0.3568 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 0.4257 -1.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 -0.8684 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 -2.0507 -1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 -2.7371 -1.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -2.5595 -1.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3608 -1.9566 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6942 -2.5228 -1.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2644 -0.7854 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 -0.0931 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 0.7745 -0.8985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0162 -0.4387 1.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 0.1727 1.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 -0.2396 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 1.0049 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 1.0032 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 2.1986 2.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 3.3865 1.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2573 3.3745 0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1247 2.1797 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0541 2.2511 -1.6437 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.4856 1.3627 -2.4028 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5201 3.3528 -2.2281 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.4718 0.6862 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2938 -0.5570 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0256 -1.0201 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1609 -2.8839 -2.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3613 -3.7270 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1095 -2.0760 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 -3.5252 -2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0839 -1.8883 -2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -2.6267 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8309 -0.5982 2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 0.8979 2.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8006 0.6436 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0878 0.0614 2.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 2.2443 3.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4344 4.3124 2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 4.3305 -0.0671 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 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 11 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 16 5 1 0 22 17 1 0 1 26 1 0 1 27 1 0 1 28 1 0 7 29 1 0 7 30 1 0 7 31 1 0 10 32 1 0 10 33 1 0 10 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 M CHG 2 23 1 25 -1 M END