HMDB0005000 RDKit 3D Loratadine 50 53 0 0 0 0 0 0 0 0999 V2000 6.8304 0.7004 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 0.1296 0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6307 0.2113 0.7334 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0227 -0.3957 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6862 -1.0680 -1.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 -0.2683 -0.5158 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9058 -0.8919 -1.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -1.3933 -0.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 -0.1460 -0.6873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 -0.1324 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 1.1768 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6689 2.1060 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 3.3736 -1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 3.6935 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 5.3553 -0.0165 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5013 2.7635 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 1.4395 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 0.6166 1.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4492 -0.8131 1.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0935 -1.6320 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7203 -2.8958 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3964 -3.7443 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 -3.4259 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 -2.2207 -1.2563 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2255 -1.4023 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 1.0373 -0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8387 0.5101 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8661 0.8886 0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8773 -0.0688 -0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3765 1.6236 -0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 -0.9316 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2212 0.6816 1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4331 -1.8253 -1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7186 -0.2134 -2.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1378 -2.0623 -1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9319 -1.8432 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9725 1.7347 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 4.0974 -1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 3.0277 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8125 0.7651 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4611 1.0860 2.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3924 -1.2875 2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7158 -1.0165 2.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3898 -3.0809 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8729 -4.7250 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2773 -4.1289 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 1.8704 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 1.4082 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3681 1.4011 0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.0847 1.1896 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 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 9 26 1 0 26 27 1 0 27 6 1 0 25 10 1 0 17 11 1 0 25 20 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 12 37 1 0 13 38 1 0 16 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 26 47 1 0 26 48 1 0 27 49 1 0 27 50 1 0 M END