HMDB0030452 RDKit 3D Blasticidin S 56 57 0 0 0 0 0 0 0 0999 V2000 -4.4793 0.6636 1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3141 -0.0278 0.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4678 0.2851 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4177 0.1023 -1.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1532 0.8299 -1.8998 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2731 2.2766 -1.9225 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0028 0.3631 -1.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8032 1.2970 -1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1196 2.3825 -1.8929 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4416 0.9792 -0.8438 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7022 0.6577 -0.3960 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8811 1.1738 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 0.5142 1.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 -0.6814 1.3983 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8445 -0.4143 1.3593 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -0.4223 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8627 -0.2195 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5976 0.0062 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9842 0.1973 1.0861 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9273 0.0136 2.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 -0.1886 2.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 -0.1761 3.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 -1.2108 0.1797 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 -0.8682 -0.3761 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8494 -1.3377 -1.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 -1.1447 -2.5314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 -2.0248 -2.2809 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0832 -1.1177 1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7012 -2.3334 0.8611 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2681 -0.8186 1.7068 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0925 1.0726 2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9249 1.5098 0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8005 -0.0722 1.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3718 -0.3462 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9503 1.3323 -1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 0.1464 -2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1782 -1.0340 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7657 0.6847 -3.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8597 2.5989 -2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 2.6848 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2046 0.2286 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 -0.6523 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9399 2.2165 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5838 1.1249 -0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 2.0380 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 0.8583 2.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2715 -1.4901 2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -0.6037 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2977 -0.2490 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3558 0.8176 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6254 -0.2813 1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 -1.2959 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 -1.5361 -2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3324 -3.0850 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4695 -1.2247 2.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9485 -0.1756 1.2567 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 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 14 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 2 28 1 0 28 29 2 3 28 30 1 0 24 11 1 0 21 15 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 6 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 10 43 1 0 11 44 1 6 12 45 1 0 13 46 1 0 14 47 1 1 16 48 1 0 17 49 1 0 19 50 1 0 19 51 1 0 24 52 1 1 27 53 1 0 29 54 1 0 30 55 1 0 30 56 1 0 M END