HMDB0036593 RDKit 3D Validamycin B 70 72 0 0 0 0 0 0 0 0999 V2000 -2.8192 2.4753 -1.9557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1303 2.0114 -2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4089 1.0124 -0.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 0.7077 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5525 -0.2463 1.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -1.4682 0.8818 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5891 -1.7373 0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0036 -1.3383 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0126 -1.0443 -1.4971 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0915 -0.3250 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -0.3250 -1.8802 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2608 -0.8290 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2274 0.0721 0.4721 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4536 -0.1156 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4785 0.8231 -1.1598 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7393 1.0174 -1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6265 1.8794 -2.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0656 3.0968 -2.5336 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4388 1.8852 -0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6385 2.3817 -1.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6844 0.9450 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9927 1.7421 1.6426 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 -0.0389 0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -1.2901 1.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 -1.5147 1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4478 -1.3787 2.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -1.8895 2.7243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7246 -1.0274 1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -1.3392 3.0608 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0787 -0.4643 1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6539 0.6865 1.8228 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7517 -0.7911 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0569 -1.1732 0.2916 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7749 0.4544 -0.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2389 0.1431 -2.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5689 2.7880 -2.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8059 2.8646 -1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 1.4662 -3.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4789 1.2641 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2467 0.2731 2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 -2.3090 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4212 -2.8506 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 -2.3262 -1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 -1.8706 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2639 0.6375 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7576 -1.3103 -2.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6689 -1.6492 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5176 -1.0951 -0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 0.0672 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 1.4088 -3.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6763 2.1225 -3.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2967 2.9324 -1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7217 2.6769 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 1.5705 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 0.4372 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4543 1.1624 2.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1982 0.2364 1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 -1.9571 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5703 -2.6263 1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9342 -2.0573 3.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3981 -0.3755 3.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1983 -1.7217 3.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 0.0563 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 -0.5260 3.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2111 -1.2804 2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6058 0.7199 2.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2205 -1.5899 -0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1051 -2.1568 0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4061 1.2418 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9279 0.7790 -2.4087 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 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 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 12 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 5 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 3 1 0 28 7 1 0 23 14 1 0 1 36 1 0 2 37 1 0 2 38 1 0 4 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 14 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 21 55 1 0 22 56 1 0 23 57 1 0 24 58 1 0 25 59 1 0 26 60 1 0 26 61 1 0 27 62 1 0 28 63 1 0 29 64 1 0 30 65 1 0 31 66 1 0 32 67 1 0 33 68 1 0 34 69 1 0 35 70 1 0 M END