HMDB0240222 RDKit 3D Thonzylamine 43 44 0 0 0 0 0 0 0 0999 V2000 6.2039 -1.6441 0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 -1.5868 1.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8835 -0.8780 0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -0.8265 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5952 -0.1024 0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8056 0.5803 -0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 1.3473 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5913 1.0020 -0.6583 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -0.3090 -0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4715 -0.6093 -0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 -1.9765 -0.8635 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2238 -2.2091 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0285 -2.9400 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 1.9920 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8869 3.2380 0.2349 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5907 4.2028 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 3.9787 1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 2.7262 0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6512 1.8085 0.3715 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0622 0.5240 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 -0.1980 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 -2.4627 1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6868 -0.6697 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1307 -1.9390 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -1.3562 2.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6488 -0.1060 1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8453 1.2234 -2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9245 2.4198 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 -0.4215 -2.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -1.1231 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2022 0.0244 -1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5349 -0.5347 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8136 -1.2695 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 -2.8973 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2788 -2.6972 0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0963 -3.0426 -0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9091 -2.6240 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -3.9084 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 5.1673 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4826 4.7590 1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4404 2.5380 1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 1.0315 -1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 -0.2317 -0.8093 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 8 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 21 2 0 21 3 1 0 19 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 7 27 1 0 7 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 13 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 20 42 1 0 21 43 1 0 M END