HMDB0015152 RDKit 3D Minocycline 60 63 0 0 0 0 0 0 0 0999 V2000 -3.8249 -2.4913 -0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3886 -1.4332 0.3226 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2332 -1.8117 1.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1299 -0.0703 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1483 0.7580 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9237 2.0719 -0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6137 2.5678 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 3.8768 -0.8555 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5841 1.7560 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8058 0.4317 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7743 -0.5231 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 0.0506 1.0493 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6172 -0.9732 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 -0.4326 0.5825 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4504 -0.3598 -0.8190 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9819 -1.2476 -1.7878 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6084 -1.1243 -2.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3312 -2.6207 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9619 -0.3488 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7677 -1.2062 -1.4262 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4431 0.5663 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8736 0.7392 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.7383 1.1775 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6473 -0.0403 -0.3305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4932 1.4488 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 2.6304 1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1564 0.9593 1.2019 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0528 0.8585 2.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0825 1.8121 0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 3.0966 0.1627 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1678 1.3892 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 2.2546 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 3.4570 -0.1888 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0681 -3.1029 0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 -3.2019 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4456 -2.1380 -1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6965 -1.6645 2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1635 -1.2107 1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4899 -2.8824 1.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 0.3497 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7429 2.6982 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 4.4920 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1864 -1.1904 1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 -1.2813 -0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 0.1698 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6739 -1.5197 1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2891 -1.7795 0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7331 -1.0521 1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 0.7088 -1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6106 -0.8732 -3.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.0946 -2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0468 -0.3034 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 -3.2332 -1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7343 -2.8106 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.0307 -2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1775 -1.9953 -0.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4525 2.7306 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6307 1.4849 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 1.7186 2.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6924 3.2315 -0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 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 16 18 1 0 15 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 21 25 1 0 25 26 2 0 25 27 1 0 27 28 1 1 27 29 1 0 29 30 1 0 29 31 2 0 31 32 1 0 32 33 2 0 10 4 1 0 31 12 1 0 32 9 1 0 27 14 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 5 40 1 0 6 41 1 0 8 42 1 0 11 43 1 0 11 44 1 0 12 45 1 1 13 46 1 0 13 47 1 0 14 48 1 1 15 49 1 6 17 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 18 55 1 0 20 56 1 0 23 57 1 0 23 58 1 0 28 59 1 0 30 60 1 0 M END