HMDB0014829 RDKit 3D Moexipril 70 72 0 0 0 0 0 0 0 0999 V2000 4.5444 -4.4350 1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2084 -3.8111 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7714 -2.4704 0.0694 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4273 -2.1758 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5216 -3.0154 -0.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1209 -0.6436 -0.2388 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7855 -0.1149 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8267 1.3627 1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6985 2.0222 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2991 2.3263 -1.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 2.9750 -2.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4313 3.3219 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8531 3.0237 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 2.3942 0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -0.6248 -0.3983 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 0.2328 -0.1854 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6638 1.4643 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5211 -0.5513 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3171 -1.5566 0.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7824 -0.4915 -0.5564 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7827 -1.4234 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0077 -0.6310 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9924 -1.2274 1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1619 -0.5829 1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1361 -1.1721 2.3207 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9903 -2.4798 2.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3333 0.6968 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5063 1.3708 1.3589 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6785 2.6849 0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3692 1.2849 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1871 0.6301 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1886 1.3532 -0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 0.2507 -1.6163 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6655 0.5094 -2.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 1.4810 -3.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 -0.3076 -3.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0952 -5.4237 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -3.7988 1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -4.6041 2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3079 -3.7504 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 -4.3795 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -0.3597 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -0.4418 0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4326 -0.5830 1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3392 1.5465 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8492 1.8743 1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3399 2.1014 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 3.2185 -3.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1163 3.8193 -2.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 3.2871 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3766 2.1734 1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4641 -1.4994 -0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7908 0.6766 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 1.4010 -2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 1.9573 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3223 2.2574 -0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3575 -1.7312 1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -2.2921 -0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8448 -2.2429 1.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6348 -3.1236 1.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9628 -2.9027 3.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2205 -2.5401 3.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8951 3.3711 1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6553 3.1103 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6006 2.7483 -0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4864 2.2966 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7146 1.9842 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 1.9378 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2865 -0.4878 -1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -1.2707 -2.9451 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 6 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 2 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 14 9 1 0 33 20 1 0 31 22 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 6 42 1 6 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 10 47 1 0 11 48 1 0 12 49 1 0 13 50 1 0 14 51 1 0 15 52 1 0 16 53 1 1 17 54 1 0 17 55 1 0 17 56 1 0 21 57 1 0 21 58 1 0 23 59 1 0 26 60 1 0 26 61 1 0 26 62 1 0 29 63 1 0 29 64 1 0 29 65 1 0 30 66 1 0 32 67 1 0 32 68 1 0 33 69 1 6 36 70 1 0 M END