HMDB0246828 RDKit 3D 5-Methylurapidil 60 62 0 0 0 0 0 0 0 0999 V2000 6.9134 -1.3091 -1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7913 -0.7006 -0.8383 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 -0.1544 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 -0.1886 1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0498 0.3538 2.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9247 0.9409 2.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7785 0.9516 2.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 0.4217 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 0.4449 0.2222 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 -0.7612 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6964 -1.0658 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 0.0178 0.0402 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 0.0415 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 0.8482 -1.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8027 0.0025 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0986 0.5717 -0.9175 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3017 0.1040 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4213 0.9608 -0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2737 2.2637 -1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6171 0.5359 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6211 1.2813 -0.1807 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7750 -0.6294 0.6017 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0761 -1.0458 1.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6931 -1.3896 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8324 -2.4883 1.3342 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 -1.0623 0.2612 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3789 -2.0132 0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2712 1.2741 0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6653 1.6055 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 -0.6796 -1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 -1.5433 -2.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1027 -2.2919 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8869 -0.6411 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9762 0.3150 2.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9745 1.3730 3.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8975 1.4030 2.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7115 -1.6012 -0.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8158 -0.6283 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2548 -1.9822 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9085 -1.1393 1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 0.5880 -1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -0.9753 -1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9494 0.8128 -2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 1.8263 -1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 -1.0247 -1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4053 0.1084 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1205 1.4939 -1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5684 2.9476 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2926 2.6822 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9288 1.9939 -2.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8899 -1.5656 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7515 -0.1905 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4733 -1.7741 0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 -1.6504 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8165 -2.8663 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1852 -2.4748 -0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 2.0797 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2159 1.2466 1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 2.4930 0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 1.8539 -1.0212 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 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 12 28 1 0 28 29 1 0 8 3 1 0 29 9 1 0 26 17 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 19 48 1 0 19 49 1 0 19 50 1 0 23 51 1 0 23 52 1 0 23 53 1 0 27 54 1 0 27 55 1 0 27 56 1 0 28 57 1 0 28 58 1 0 29 59 1 0 29 60 1 0 M END