@MOLECULE (r)-1,2,3,4-tetrahydro-1-methyl-6,7-isoquinolinediol 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.0088 1.4869 0.1418 O.3 1 UNL1111111111 -0.4232 2 O 3.3179 -1.0939 -0.2332 O.3 1 UNL1111111111 -0.4234 3 N -2.9399 0.0537 0.5920 N.3 1 UNL1111111111 -0.5504 4 C -1.8824 1.0580 0.3435 C.3 1 UNL1111111111 0.0764 5 C -0.5161 0.4266 0.2092 C.ar 1 UNL1111111111 -0.0336 6 C -1.5221 -1.8720 0.0803 C.3 1 UNL1111111111 -0.2807 7 C -0.3484 -0.9464 0.0464 C.ar 1 UNL1111111111 0.0257 8 C -2.8222 -1.1324 -0.2816 C.3 1 UNL1111111111 -0.0990 9 C -2.1659 1.9201 -0.9061 C.3 1 UNL1111111111 -0.4947 10 C 0.6033 1.2702 0.2539 C.ar 1 UNL1111111111 -0.2690 11 C 0.9362 -1.4873 -0.1080 C.ar 1 UNL1111111111 -0.2871 12 C 1.8756 0.7377 0.1091 C.ar 1 UNL1111111111 0.1838 13 C 2.0428 -0.6513 -0.0833 C.ar 1 UNL1111111111 0.1977 14 H -1.8866 1.7180 1.2581 H 1 UNL1111111111 0.1510 15 H -1.3812 -2.7363 -0.5951 H 1 UNL1111111111 0.1444 16 H -1.6146 -2.2888 1.1097 H 1 UNL1111111111 0.1694 17 H -2.8259 -0.8781 -1.3630 H 1 UNL1111111111 0.1161 18 H -3.6986 -1.7890 -0.0929 H 1 UNL1111111111 0.1336 19 H -3.8623 0.4771 0.5091 H 1 UNL1111111111 0.2571 20 H -1.4175 2.7113 -1.0220 H 1 UNL1111111111 0.1556 21 H -2.1387 1.3156 -1.8190 H 1 UNL1111111111 0.1549 22 H -3.1464 2.4011 -0.8468 H 1 UNL1111111111 0.1444 23 H 0.4720 2.3385 0.4026 H 1 UNL1111111111 0.1619 24 H 1.0598 -2.5577 -0.2414 H 1 UNL1111111111 0.1628 25 H 2.7984 2.4431 0.2882 H 1 UNL1111111111 0.3129 26 H 3.3424 -2.0764 -0.3519 H 1 UNL1111111111 0.3135 @BOND 1 1 12 1 2 1 25 1 3 2 13 1 4 2 26 1 5 3 4 1 6 3 8 1 7 3 19 1 8 4 5 1 9 4 9 1 10 4 14 1 11 5 7 ar 12 5 10 ar 13 6 7 1 14 6 8 1 15 6 15 1 16 6 16 1 17 7 11 ar 18 8 17 1 19 8 18 1 20 9 20 1 21 9 21 1 22 9 22 1 23 10 12 ar 24 10 23 1 25 11 13 ar 26 11 24 1 27 12 13 ar