@MOLECULE (1S,2S)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9285 -0.4923 -0.5796 O.3 1 UNL111111111 -0.3433 2 O 3.6715 0.8489 1.7496 O.3 1 UNL111111111 -0.4533 3 O -0.2520 -3.2866 0.5211 O.3 1 UNL111111111 -0.3492 4 O -2.5431 -3.5958 -0.8808 O.3 1 UNL111111111 -0.4625 5 N -1.7709 2.6333 -0.3837 N.3 1 UNL111111111 -0.4264 6 C -0.8264 2.2804 0.7095 C.3 1 UNL111111111 0.0647 7 C 0.4489 1.5952 0.2824 C.ar 1 UNL111111111 -0.0541 8 C -1.2396 2.4439 -1.7525 C.3 1 UNL111111111 -0.0926 9 C -0.6137 1.0458 -1.8861 C.3 1 UNL111111111 -0.2954 10 C 0.5446 0.9514 -0.9520 C.ar 1 UNL111111111 0.0189 11 C -1.6008 1.3332 1.6838 C.3 1 UNL111111111 -0.2811 12 C -2.2700 4.0162 -0.2235 C.3 1 UNL111111111 -0.2801 13 C 1.5235 1.5617 1.1755 C.ar 1 UNL111111111 -0.2161 14 C -1.8630 -0.0019 1.0599 C.ar 1 UNL111111111 0.0256 15 C 1.6926 0.2320 -1.2980 C.ar 1 UNL111111111 -0.2529 16 C 2.6679 0.8526 0.8326 C.ar 1 UNL111111111 0.1853 17 C 2.7490 0.1730 -0.4011 C.ar 1 UNL111111111 0.1060 18 C -0.9006 -1.0135 1.1693 C.ar 1 UNL111111111 -0.2381 19 C -3.0350 -0.2203 0.3359 C.ar 1 UNL111111111 -0.1540 20 C -1.1052 -2.2181 0.5136 C.ar 1 UNL111111111 0.1044 21 C -3.2586 -1.4391 -0.3040 C.ar 1 UNL111111111 -0.2064 22 C -2.2882 -2.4326 -0.2211 C.ar 1 UNL111111111 0.1827 23 C 4.0354 -1.2917 -1.7490 C.3 1 UNL111111111 -0.1850 24 C 1.1015 -2.9946 0.8431 C.3 1 UNL111111111 -0.1889 25 H -0.5458 3.2026 1.2905 H 1 UNL111111111 0.1278 26 H -0.4938 3.2174 -2.0358 H 1 UNL111111111 0.1165 27 H -2.1002 2.5391 -2.4519 H 1 UNL111111111 0.1377 28 H -0.3302 0.8501 -2.9353 H 1 UNL111111111 0.1474 29 H -1.3711 0.2690 -1.6203 H 1 UNL111111111 0.1864 30 H -2.5522 1.8238 1.9718 H 1 UNL111111111 0.1545 31 H -1.0136 1.2240 2.6169 H 1 UNL111111111 0.1463 32 H -2.7488 4.1150 0.7648 H 1 UNL111111111 0.1442 33 H -3.0514 4.2046 -0.9784 H 1 UNL111111111 0.1448 34 H -1.4979 4.7941 -0.3213 H 1 UNL111111111 0.1200 35 H 1.4800 2.0722 2.1360 H 1 UNL111111111 0.1777 36 H 1.7396 -0.2710 -2.2593 H 1 UNL111111111 0.1684 37 H 0.0057 -0.8349 1.7423 H 1 UNL111111111 0.1710 38 H -3.7671 0.5822 0.2445 H 1 UNL111111111 0.1666 39 H -4.1684 -1.6195 -0.8717 H 1 UNL111111111 0.1726 40 H 4.4514 0.3332 1.4211 H 1 UNL111111111 0.3343 41 H 5.0268 -1.7481 -1.6274 H 1 UNL111111111 0.1490 42 H 4.0092 -0.6670 -2.6477 H 1 UNL111111111 0.1355 43 H 3.2563 -2.0604 -1.7729 H 1 UNL111111111 0.1355 44 H -1.7885 -4.2287 -0.7740 H 1 UNL111111111 0.3340 45 H 1.1939 -2.7656 1.9098 H 1 UNL111111111 0.1363 46 H 1.4912 -2.1743 0.2296 H 1 UNL111111111 0.1396 47 H 1.6105 -3.9367 0.6048 H 1 UNL111111111 0.1454 @BOND 1 1 17 1 2 1 23 1 3 2 16 1 4 2 40 1 5 3 20 1 6 3 24 1 7 4 22 1 8 4 44 1 9 5 6 1 10 5 8 1 11 5 12 1 12 6 7 1 13 6 11 1 14 6 25 1 15 7 10 ar 16 7 13 ar 17 8 9 1 18 8 26 1 19 8 27 1 20 9 10 1 21 9 28 1 22 9 29 1 23 10 15 ar 24 11 14 1 25 11 30 1 26 11 31 1 27 12 32 1 28 12 33 1 29 12 34 1 30 13 16 ar 31 13 35 1 32 14 18 ar 33 14 19 ar 34 15 17 ar 35 15 36 1 36 16 17 ar 37 18 20 ar 38 18 37 1 39 19 21 ar 40 19 38 1 41 20 22 ar 42 21 22 ar 43 21 39 1 44 23 41 1 45 23 42 1 46 23 43 1 47 24 45 1 48 24 46 1 49 24 47 1