HMDB0248047 RDKit 3D Afoxolaner 59 62 0 0 0 0 0 0 0 0999 V2000 4.0503 -1.5408 2.3196 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6405 -1.3462 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -1.1761 0.1005 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0056 -1.2240 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4451 -0.2392 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 -0.5770 2.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8521 0.9016 0.8993 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0177 1.5746 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 2.8499 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0679 3.6268 -1.0867 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 3.5532 0.9238 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9487 2.4491 0.6838 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 -1.2885 0.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4468 -0.3208 1.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -0.1983 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5223 -1.0339 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9382 -0.8388 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 -1.4407 -0.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0518 -0.8611 -0.7209 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7615 0.5329 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9647 1.2330 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9306 2.5675 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0349 3.2620 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9902 4.9490 1.1956 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.2919 2.6555 0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3626 1.3306 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6842 0.6508 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6325 1.3955 1.0957 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.5293 -0.5748 0.9905 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.0636 0.4565 -0.9323 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.2332 0.6547 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1766 1.1498 -1.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1237 1.0455 -2.7131 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8019 2.4513 -1.4450 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 0.4387 -2.0938 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.7202 0.3003 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2237 -1.9801 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3212 -2.8451 -1.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4382 -3.8220 -1.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 -3.9345 -1.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 -3.0804 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5913 -2.0879 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2057 -1.0204 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4834 -0.9893 -0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3535 -2.2700 0.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1456 -1.1352 2.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5426 0.9964 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0144 1.9483 -0.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 0.2993 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 0.5774 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9767 3.1079 0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1619 3.2054 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2766 -0.3905 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1082 0.0151 1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0475 1.1738 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3579 -2.8015 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -4.4987 -2.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3639 -4.6792 -2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 -3.1576 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 2 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 26 31 2 0 20 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 20 36 1 0 16 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 13 1 0 36 17 1 0 42 37 1 0 31 21 1 0 3 43 1 0 4 44 1 0 4 45 1 0 6 46 1 0 8 47 1 0 8 48 1 0 14 49 1 0 15 50 1 0 22 51 1 0 25 52 1 0 31 53 1 0 36 54 1 0 36 55 1 0 38 56 1 0 39 57 1 0 40 58 1 0 41 59 1 0 M END