HMDB0240221 RDKit 3D Histapyrrodine 45 47 0 0 0 0 0 0 0 0999 V2000 -3.1537 -3.6441 -0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8255 -3.6113 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2693 -2.4883 0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0508 -1.3945 0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5097 -0.1762 1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8527 0.7193 0.3785 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4016 0.3447 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5141 0.2763 0.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 -0.0662 0.1492 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -1.3765 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2141 -1.3218 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9627 -0.4249 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 -0.0330 1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 2.0128 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 3.1614 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 4.4107 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4094 4.4786 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8578 3.3242 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 2.0828 -0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -1.4486 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9499 -2.5571 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 -4.5366 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 -4.4860 -0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2148 -2.5420 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3372 0.4046 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 -0.4898 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3191 -0.6177 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 1.1000 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 1.2563 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 -0.4694 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0497 -1.5797 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8063 -2.1547 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6495 -2.3150 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0834 -0.7903 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8069 -0.9532 0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2566 0.5212 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 0.9217 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 -0.8863 1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1827 3.1084 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 5.3035 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 5.4385 -1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6153 3.4516 -2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6983 1.2025 -1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0256 -0.5779 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0109 -2.5782 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 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 1 0 12 13 1 0 6 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 4 20 1 0 20 21 2 0 21 1 1 0 13 9 1 0 19 14 1 0 1 22 1 0 2 23 1 0 3 24 1 0 5 25 1 0 5 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 M END