HMDB0253042 RDKit 3D Halopemide 51 54 0 0 0 0 0 0 0 0999 V2000 -3.7261 -1.1355 -0.8507 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2448 -0.1647 -0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3861 0.7164 0.4673 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 0.5212 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5141 -0.7974 1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -0.8531 0.9061 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6325 0.0445 1.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 0.8782 0.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5874 -0.1282 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 0.5029 -0.3268 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6832 1.6909 -0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7301 2.5102 -1.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9329 1.9523 -1.4264 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7411 0.9188 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0622 0.6107 -1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 -0.5650 -0.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3236 -0.9393 -1.1210 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8004 -1.4477 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 -1.1814 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9432 0.0124 -0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8984 -1.1707 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 -1.2714 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6799 0.0258 -0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4928 -0.9781 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8606 -0.8215 -0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4482 0.3204 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8019 0.4054 -0.1895 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.6545 1.3062 0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2702 1.1348 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 1.5341 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 1.3229 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5472 0.5720 -0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 -1.6794 0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7681 -0.7268 2.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3563 -0.4536 2.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 0.7218 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 1.6557 1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9271 1.2652 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 -0.6478 1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2719 2.7843 -1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6704 1.3399 -1.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 -2.3579 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 -1.8921 0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 -2.1736 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1187 -0.9370 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 -2.3481 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 -0.7159 -1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0352 -1.8686 -1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4845 -1.6056 -1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0818 2.1994 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6666 1.9143 0.7737 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 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 9 21 1 0 21 22 1 0 2 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 22 6 1 0 29 23 1 0 20 10 1 0 20 14 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 13 40 1 0 15 41 1 0 18 42 1 0 19 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 24 48 1 0 25 49 1 0 28 50 1 0 29 51 1 0 M END