@MOLECULE 5-fluoro-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-isoquinolinediol 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 F -5.6098 1.5614 0.1009 F 1 UNL1111111111 -0.1623 2 O -4.5012 -2.9693 -0.3161 O.3 1 UNL1111111111 -0.4162 3 O -6.3504 -1.1108 -0.3207 O.3 1 UNL1111111111 -0.4033 4 O 3.6151 -2.6784 0.2190 O.3 1 UNL1111111111 -0.3027 5 O 4.1440 2.1473 -0.3298 O.3 1 UNL1111111111 -0.3477 6 O 5.3840 -0.3621 0.2044 O.3 1 UNL1111111111 -0.3224 7 N -0.6951 1.6368 1.0037 N.3 1 UNL1111111111 -0.5440 8 C -0.9088 0.2816 0.4661 C.3 1 UNL1111111111 0.0757 9 C -2.3750 -0.0222 0.2711 C.ar 1 UNL1111111111 0.0002 10 C -0.1687 0.0271 -0.8847 C.3 1 UNL1111111111 -0.3448 11 C -3.3372 0.9859 0.2813 C.ar 1 UNL1111111111 -0.0417 12 C -2.9749 2.4090 0.5490 C.3 1 UNL1111111111 -0.2666 13 C -1.4780 2.6658 0.2915 C.3 1 UNL1111111111 -0.0989 14 C 1.3007 -0.0773 -0.6370 C.ar 1 UNL1111111111 0.0936 15 C -2.7452 -1.3598 0.0815 C.ar 1 UNL1111111111 -0.3007 16 C -4.6761 0.6212 0.0850 C.ar 1 UNL1111111111 0.0551 17 C -4.0779 -1.6959 -0.1173 C.ar 1 UNL1111111111 0.2150 18 C -5.0765 -0.6973 -0.1207 C.ar 1 UNL1111111111 0.1224 19 C 2.0969 1.0693 -0.6868 C.ar 1 UNL1111111111 -0.3188 20 C 1.8638 -1.3126 -0.3348 C.ar 1 UNL1111111111 -0.3041 21 C 3.2352 -1.4076 -0.0462 C.ar 1 UNL1111111111 0.2436 22 C 3.4543 0.9670 -0.3888 C.ar 1 UNL1111111111 0.2299 23 C 4.0391 -0.2593 -0.0457 C.ar 1 UNL1111111111 -0.0488 24 C 5.0019 -2.9488 0.3759 C.3 1 UNL1111111111 -0.1908 25 C 5.2062 2.2488 -1.2757 C.3 1 UNL1111111111 -0.1899 26 C 5.7538 0.2397 1.4474 C.3 1 UNL1111111111 -0.2088 27 H -0.4915 -0.4191 1.2467 H 1 UNL1111111111 0.1639 28 H -0.4067 0.8364 -1.6017 H 1 UNL1111111111 0.1609 29 H -0.5566 -0.8946 -1.3624 H 1 UNL1111111111 0.1665 30 H -3.5755 3.1135 -0.0586 H 1 UNL1111111111 0.1517 31 H -3.2078 2.6417 1.6141 H 1 UNL1111111111 0.1707 32 H -1.2803 2.6873 -0.8020 H 1 UNL1111111111 0.1154 33 H -1.1895 3.6602 0.6966 H 1 UNL1111111111 0.1373 34 H 0.3001 1.8670 1.0129 H 1 UNL1111111111 0.2713 35 H -1.9864 -2.1390 0.0991 H 1 UNL1111111111 0.1706 36 H 1.6823 2.0355 -0.9583 H 1 UNL1111111111 0.1753 37 H 1.2598 -2.2168 -0.3139 H 1 UNL1111111111 0.1803 38 H -3.7431 -3.6073 -0.2793 H 1 UNL1111111111 0.3165 39 H -6.9962 -0.3598 -0.2997 H 1 UNL1111111111 0.3230 40 H 5.0147 -4.0453 0.4306 H 1 UNL1111111111 0.1451 41 H 5.3756 -2.5057 1.3036 H 1 UNL1111111111 0.1387 42 H 5.5765 -2.5946 -0.4865 H 1 UNL1111111111 0.1457 43 H 4.8039 2.2218 -2.2930 H 1 UNL1111111111 0.1314 44 H 5.9489 1.4571 -1.1295 H 1 UNL1111111111 0.1463 45 H 5.6308 3.2337 -1.0483 H 1 UNL1111111111 0.1460 46 H 6.8336 0.0595 1.4896 H 1 UNL1111111111 0.1422 47 H 5.2396 -0.2480 2.2802 H 1 UNL1111111111 0.1305 48 H 5.5374 1.3140 1.4397 H 1 UNL1111111111 0.1476 @BOND 1 1 16 1 2 2 17 1 3 2 38 1 4 3 18 1 5 3 39 1 6 4 21 1 7 4 24 1 8 5 22 1 9 5 25 1 10 6 23 1 11 6 26 1 12 7 8 1 13 7 13 1 14 7 34 1 15 8 9 1 16 8 10 1 17 8 27 1 18 9 11 ar 19 9 15 ar 20 10 14 1 21 10 28 1 22 10 29 1 23 11 12 1 24 11 16 ar 25 12 13 1 26 12 30 1 27 12 31 1 28 13 32 1 29 13 33 1 30 14 19 ar 31 14 20 ar 32 15 17 ar 33 15 35 1 34 16 18 ar 35 17 18 ar 36 19 22 ar 37 19 36 1 38 20 21 ar 39 20 37 1 40 21 23 ar 41 22 23 ar 42 24 40 1 43 24 41 1 44 24 42 1 45 25 43 1 46 25 44 1 47 25 45 1 48 26 46 1 49 26 47 1 50 26 48 1