HMDB0251090 RDKit 3D Dexniguldipine 84 88 0 0 0 0 0 0 0 0999 V2000 -8.3993 -1.4696 -2.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1772 -1.2086 -1.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8464 -1.7854 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6792 -2.5561 0.3653 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5601 -1.4907 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3191 -2.0673 1.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2541 -3.0172 2.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -1.7768 2.3182 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1186 -0.8992 1.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8558 -0.6601 2.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3982 -0.3277 0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 0.5707 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 1.1241 -1.0669 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 0.8661 0.6325 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 1.7480 0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 1.9245 0.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 0.7009 1.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2886 0.0429 -0.0174 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0446 -1.1145 0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3979 -0.7944 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2060 -0.0736 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4969 0.3977 0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0393 -0.1601 1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2306 0.2708 2.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9207 1.2920 1.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4161 1.8633 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2065 1.4117 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 -0.8905 -1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 -0.3449 -2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9857 -1.1304 -3.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0014 -2.5000 -3.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7551 -3.0632 -2.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4944 -2.2630 -1.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 1.1967 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 0.8955 -0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6417 -0.5597 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3954 0.7219 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 1.4794 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5683 2.6518 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7891 3.0932 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3238 2.3673 -1.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5657 2.8441 -3.2236 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.1897 3.9042 -3.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1298 2.1686 -4.3300 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.6398 1.2016 -1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2399 -1.7499 -3.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0247 -0.5461 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9911 -2.2626 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1829 -2.4491 2.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8099 -3.3011 3.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4415 -3.8805 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8685 -2.2425 3.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8906 -1.2604 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 -1.0583 1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7001 0.3709 2.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 1.3368 -0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6723 2.7521 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 2.7636 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6488 2.3088 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1521 -0.0251 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 0.9826 1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1644 -1.7992 -0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -1.6197 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 -1.7095 1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 -0.1005 1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5366 -0.9547 2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6416 -0.1766 3.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8519 1.6345 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9758 2.6761 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9069 1.9335 -0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 0.7139 -2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1835 -0.6973 -4.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 -3.1099 -4.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7703 -4.1451 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 -2.8168 -0.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 1.7549 0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 1.8378 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 0.3415 -1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5145 1.8347 -1.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3668 -0.9483 -1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6993 1.1238 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9430 3.2386 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3326 4.0172 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2838 0.6483 -2.5150 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 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 21 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 21 34 1 0 34 35 1 0 11 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 41 45 2 0 36 5 1 0 45 37 1 0 35 18 1 0 27 22 1 0 33 28 1 0 1 46 1 0 1 47 1 0 1 48 1 0 7 49 1 0 7 50 1 0 7 51 1 0 8 52 1 0 10 53 1 0 10 54 1 0 10 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 17 61 1 0 19 62 1 0 19 63 1 0 20 64 1 0 20 65 1 0 23 66 1 0 24 67 1 0 25 68 1 0 26 69 1 0 27 70 1 0 29 71 1 0 30 72 1 0 31 73 1 0 32 74 1 0 33 75 1 0 34 76 1 0 34 77 1 0 35 78 1 0 35 79 1 0 36 80 1 0 38 81 1 0 39 82 1 0 40 83 1 0 45 84 1 0 M CHG 2 42 1 44 -1 M END