@MOLECULE 4-(7-hydroxy-8-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl)-1,2-benzenediol 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2608 2.0908 -0.6305 O.3 1 UNL1111111111 -0.4760 2 O 3.0332 -0.1362 -2.3562 O.3 1 UNL1111111111 -0.4466 3 O 4.8501 1.1816 -0.8056 O.3 1 UNL1111111111 -0.4972 4 N -0.5123 -2.6440 -0.1422 N.3 1 UNL1111111111 -0.5316 5 C 0.0765 -0.8308 1.4479 C.3 1 UNL1111111111 -0.1132 6 C -1.0838 -0.0667 0.8710 C.ar 1 UNL1111111111 -0.0600 7 C -0.0630 -2.3575 1.2327 C.3 1 UNL1111111111 -0.1112 8 C -1.9970 -0.6615 -0.0054 C.ar 1 UNL1111111111 0.0184 9 C -1.8600 -2.1025 -0.4152 C.3 1 UNL1111111111 -0.1160 10 C 1.3630 -0.3095 0.8567 C.ar 1 UNL1111111111 0.0120 11 C -3.0762 0.0749 -0.5076 C.ar 1 UNL1111111111 -0.0843 12 C -1.2266 1.2749 1.2316 C.ar 1 UNL1111111111 -0.1052 13 C -3.1932 1.4164 -0.1191 C.ar 1 UNL1111111111 0.2585 14 C -2.2836 2.0322 0.7398 C.ar 1 UNL1111111111 -0.2983 15 C 1.6272 -0.4605 -0.5070 C.ar 1 UNL1111111111 -0.1843 16 C 2.2785 0.3421 1.6850 C.ar 1 UNL1111111111 -0.1885 17 C -4.0774 -0.5232 -1.4326 C.3 1 UNL1111111111 -0.4294 18 C 2.8126 0.0443 -1.0290 C.ar 1 UNL1111111111 0.2015 19 C 3.4677 0.8573 1.1659 C.ar 1 UNL1111111111 -0.2301 20 C 3.7269 0.7074 -0.1888 C.ar 1 UNL1111111111 0.1272 21 H 0.0860 -0.6643 2.5599 H 1 UNL1111111111 0.1468 22 H 0.9295 -2.8418 1.3747 H 1 UNL1111111111 0.1472 23 H -0.7482 -2.7715 2.0033 H 1 UNL1111111111 0.1118 24 H -2.6697 -2.6937 0.0744 H 1 UNL1111111111 0.1236 25 H -2.0104 -2.1936 -1.5215 H 1 UNL1111111111 0.1609 26 H -0.4829 -3.6442 -0.3335 H 1 UNL1111111111 0.2572 27 H -0.4968 1.7356 1.8977 H 1 UNL1111111111 0.1564 28 H -2.3926 3.0745 1.0159 H 1 UNL1111111111 0.1595 29 H 0.9139 -0.9778 -1.1581 H 1 UNL1111111111 0.2117 30 H 2.0718 0.4560 2.7461 H 1 UNL1111111111 0.1510 31 H -3.6213 -0.7881 -2.3988 H 1 UNL1111111111 0.1579 32 H -4.5341 -1.4290 -1.0112 H 1 UNL1111111111 0.1486 33 H -4.9049 0.1697 -1.6577 H 1 UNL1111111111 0.1733 34 H 4.1729 1.3668 1.8140 H 1 UNL1111111111 0.1538 35 H -4.2725 3.0330 -0.3391 H 1 UNL1111111111 0.3243 36 H 3.9026 0.2617 -2.6248 H 1 UNL1111111111 0.3358 37 H 5.4817 1.5721 -0.1582 H 1 UNL1111111111 0.3345 @BOND 1 1 13 1 2 1 35 1 3 2 18 1 4 2 36 1 5 3 20 1 6 3 37 1 7 4 7 1 8 4 9 1 9 4 26 1 10 5 6 1 11 5 7 1 12 5 10 1 13 5 21 1 14 6 8 ar 15 6 12 ar 16 7 22 1 17 7 23 1 18 8 9 1 19 8 11 ar 20 9 24 1 21 9 25 1 22 10 15 ar 23 10 16 ar 24 11 13 ar 25 11 17 1 26 12 14 ar 27 12 27 1 28 13 14 ar 29 14 28 1 30 15 18 ar 31 15 29 1 32 16 19 ar 33 16 30 1 34 17 31 1 35 17 32 1 36 17 33 1 37 18 20 ar 38 19 20 ar 39 19 34 1