HMDB0249468 RDKit 3D Butoxamine 44 44 0 0 0 0 0 0 0 0999 V2000 5.1293 2.1547 -1.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 2.1321 -0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1723 0.9536 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7524 -0.2354 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0384 -1.3931 -0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.3744 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 -2.5322 0.4725 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 -3.7669 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2459 -0.1886 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 -0.3012 1.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 1.0185 2.2322 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2761 -0.2180 0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 0.0745 2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 0.7112 -0.0954 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8779 0.5913 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2018 -0.8121 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8669 1.3999 -1.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9836 1.1798 0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 0.9570 0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 1.7096 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3597 3.2375 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 1.6036 -2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7134 -0.2112 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 -2.3330 -0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0576 -4.6150 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 -3.8473 -1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7049 -3.8996 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 -0.9949 2.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0822 0.9727 2.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6078 -1.2748 0.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -0.0133 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 1.1330 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9812 -0.6646 2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3541 1.6628 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 -1.4977 -0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1385 -0.7483 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 -1.2793 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8983 1.6677 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3981 0.7579 -2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2824 2.2899 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7769 2.2013 0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4289 0.5541 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 1.3317 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4772 1.9063 0.6478 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 6 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 9 19 2 0 19 3 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 5 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 19 44 1 0 M END