HMDB0015321 RDKit 3D Clindamycin 60 61 0 0 0 0 0 0 0 0999 V2000 3.9002 1.8823 2.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6335 0.7914 2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 0.9610 0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3309 1.0019 0.0869 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5441 -0.2586 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 -0.9442 -1.0146 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0272 -0.9218 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7806 -0.3769 -2.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0562 -1.4923 -0.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4166 -1.4640 -1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 -2.8617 -1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9951 -3.6261 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 -3.7656 -2.7064 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3328 -0.7075 -0.3435 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8185 0.5815 -0.2236 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5253 1.3416 0.6984 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7492 1.3429 2.3290 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 2.3619 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 0.9171 0.8271 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1170 -0.1983 1.6488 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4512 0.5565 -0.5586 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0560 1.6245 -1.3974 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7043 -0.6809 -1.0017 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5723 -0.6419 -2.4008 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 -0.3249 -1.8722 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 -0.4726 -3.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 1.0420 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 2.6120 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 1.4258 3.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 2.4720 3.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6974 0.8186 2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 -0.2292 2.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3514 0.1935 0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 1.9422 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 1.9062 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 0.0314 0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -0.9118 1.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6887 -2.0192 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 -1.9443 0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 -0.9631 -2.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0196 -2.7761 -1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 -3.1248 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5953 -4.6580 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 -3.7943 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 -1.2724 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 2.3906 0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8247 2.3702 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 3.4415 3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 2.0516 4.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5747 1.7673 1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -0.1665 2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5506 0.4244 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8489 2.1383 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3069 -1.5772 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3617 0.2920 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 0.3859 -3.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.4462 -3.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1611 -0.5503 -3.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 1.7363 -1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 1.3665 -1.6895 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 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 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 6 25 1 0 25 26 1 0 25 27 1 0 27 4 1 0 23 14 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 1 5 36 1 0 5 37 1 0 6 38 1 1 9 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 12 44 1 0 14 45 1 1 16 46 1 6 18 47 1 0 18 48 1 0 18 49 1 0 19 50 1 1 20 51 1 0 21 52 1 1 22 53 1 0 23 54 1 6 24 55 1 0 26 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 M END