HMDB0259457 RDKit 3D N-Acetyl-9-aminominocycline, (4R)- 59 60 0 0 0 0 0 0 0 0999 V2000 -3.6584 -3.0065 0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3703 -2.7228 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9971 -1.2912 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 -1.1549 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 -1.6944 -1.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 -1.5990 -2.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 -0.9469 -1.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 -0.3908 -0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 0.2366 -0.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 0.8631 1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7943 0.1456 1.7789 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 -0.0332 1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0632 -1.3363 0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 -2.1422 0.4442 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1697 -1.7268 -0.3108 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3077 1.0549 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 1.1467 -0.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 2.3613 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 3.4440 -0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3509 2.2858 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6816 2.9924 -0.0772 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4133 -0.5100 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9994 -0.3716 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4329 -0.7765 -1.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1547 0.0414 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9626 0.9578 -0.5547 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0963 1.3463 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2152 2.1816 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6422 -4.0548 1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7177 -2.3519 1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5337 -3.0214 0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 -3.3040 -0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5649 -3.1784 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -0.9038 1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3114 -2.2222 -2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7922 -2.0192 -3.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6499 -0.8764 -2.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 0.8057 1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7951 0.0023 1.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1731 -2.2739 -1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8332 0.9180 -0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9457 2.0741 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 2.4536 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5328 3.5510 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1079 2.7837 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 2.5227 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2514 -0.1052 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 0.6188 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6399 -1.8537 -2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4248 -0.2665 -2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7738 -0.3589 -2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8688 -0.7425 0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8777 0.6561 1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6165 2.2191 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 1.5647 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7547 0.4645 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9314 2.9988 -1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 2.4454 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5236 2.1004 -1.6422 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 8 22 2 0 3 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 22 4 1 0 20 10 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 10 38 1 0 12 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 24 51 1 0 25 52 1 0 25 53 1 0 27 54 1 0 27 55 1 0 27 56 1 0 28 57 1 0 28 58 1 0 28 59 1 0 M END