HMDB0014587 RDKit 3D Teniposide 78 85 0 0 0 0 0 0 0 0999 V2000 -4.2605 2.2376 2.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3865 2.1250 1.8749 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3131 1.3086 0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1539 0.6194 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9992 -0.2178 -0.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7296 -0.8966 -0.8463 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1431 -1.4762 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7796 -2.6042 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3279 -3.2192 2.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 -2.6875 2.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -1.5713 2.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.9355 1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 0.2477 0.5616 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0251 0.0026 0.2158 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9473 0.7354 0.9528 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5850 1.7082 0.2305 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 1.2807 -0.4787 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4657 1.1700 -1.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7596 1.0255 -2.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5567 0.1167 -1.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 0.7133 -1.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1485 0.1332 -1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2423 0.8547 -1.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 2.1187 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3652 2.2569 -1.0648 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2091 -0.5057 -0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0959 -0.0790 -0.0622 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2305 -0.0331 1.4419 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8581 -1.1627 1.9063 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 -0.0429 1.9193 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7821 0.5505 3.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9891 0.8755 -0.5888 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0890 1.5235 -1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0597 1.7515 -2.6619 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0117 0.7114 -2.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9601 0.5763 -3.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 -0.1390 -1.5158 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9524 -3.4715 3.8342 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6139 -4.7325 3.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7183 -4.3214 2.8205 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1096 -0.3362 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2903 0.3275 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3563 0.1845 -2.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2284 -0.6592 -3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3675 1.1414 -0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5353 1.8543 0.1942 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0184 1.2377 3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3366 2.5267 2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4079 2.9804 3.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 0.7537 1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9717 -1.7765 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6399 -3.0173 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -1.2056 2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 0.9841 1.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 1.3554 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4699 2.0424 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8937 0.2689 -2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0332 2.0824 -2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7388 -0.6950 -2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1894 -0.8989 -2.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2848 0.4882 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8563 2.8409 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 -0.8019 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 0.9103 1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 -1.0593 2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 -1.1277 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 1.3886 3.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6902 1.6742 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5984 0.7630 -2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 2.4428 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -0.8177 -1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9904 -5.3961 2.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -5.1914 4.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0242 -0.9814 -2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -0.2597 -3.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9164 -1.6566 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1937 -0.6767 -3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3228 1.7634 -0.4086 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 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 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 20 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 13 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 10 38 1 0 38 39 1 0 39 40 1 0 5 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 42 45 2 0 45 46 1 0 45 3 1 0 37 6 1 0 12 7 1 0 30 15 1 0 37 32 1 0 40 9 1 0 27 17 1 0 25 21 1 0 1 47 1 0 1 48 1 0 1 49 1 0 4 50 1 0 6 51 1 6 8 52 1 0 11 53 1 0 13 54 1 1 15 55 1 1 17 56 1 6 18 57 1 0 18 58 1 0 20 59 1 0 22 60 1 0 23 61 1 0 24 62 1 0 27 63 1 1 28 64 1 6 29 65 1 0 30 66 1 1 31 67 1 0 32 68 1 1 33 69 1 0 33 70 1 0 37 71 1 6 39 72 1 0 39 73 1 0 41 74 1 0 44 75 1 0 44 76 1 0 44 77 1 0 46 78 1 0 M END