@MOLECULE 2-methyl-1,2,3,4-tetrahydro-4,6,7-isoquinolinetriol 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5986 -2.1053 0.8930 O.3 1 UNL1111111111 -0.5469 2 O 3.5548 -1.1091 -0.0786 O.3 1 UNL1111111111 -0.4918 3 O 3.3607 1.5970 0.1924 O.3 1 UNL1111111111 -0.4473 4 N -2.6025 0.5668 0.2164 N.3 1 UNL1111111111 -0.3963 5 C -1.3522 -1.4591 -0.3361 C.3 1 UNL1111111111 0.1592 6 C -2.5711 -0.5841 -0.7128 C.3 1 UNL1111111111 -0.1873 7 C -0.0931 -0.6429 -0.2223 C.ar 1 UNL1111111111 -0.0919 8 C -1.4603 1.4791 -0.0431 C.3 1 UNL1111111111 -0.1301 9 C -0.1500 0.7395 -0.0653 C.ar 1 UNL1111111111 0.0136 10 C 1.1381 -1.3097 -0.2248 C.ar 1 UNL1111111111 -0.2030 11 C 1.0255 1.4880 0.0672 C.ar 1 UNL1111111111 -0.2467 12 C -3.8817 1.2997 0.1098 C.3 1 UNL1111111111 -0.2826 13 C 2.3007 -0.5699 -0.0833 C.ar 1 UNL1111111111 0.1200 14 C 2.2502 0.8320 0.0584 C.ar 1 UNL1111111111 0.2289 15 H -1.2418 -2.3105 -1.0464 H 1 UNL1111111111 0.1420 16 H -2.5227 -0.2948 -1.7812 H 1 UNL1111111111 0.1265 17 H -3.4975 -1.1839 -0.5729 H 1 UNL1111111111 0.1555 18 H -1.4539 2.2284 0.7864 H 1 UNL1111111111 0.1592 19 H -1.5725 2.0513 -0.9940 H 1 UNL1111111111 0.1327 20 H 1.1700 -2.3932 -0.3206 H 1 UNL1111111111 0.1693 21 H 0.9978 2.5690 0.1876 H 1 UNL1111111111 0.1793 22 H -4.7059 0.6210 0.3882 H 1 UNL1111111111 0.1500 23 H -4.0924 1.7132 -0.8872 H 1 UNL1111111111 0.1209 24 H -3.8858 2.1257 0.8409 H 1 UNL1111111111 0.1489 25 H -1.8378 -1.4314 1.5723 H 1 UNL1111111111 0.3375 26 H 3.5233 -2.0957 -0.0526 H 1 UNL1111111111 0.3384 27 H 4.1794 1.0323 0.1976 H 1 UNL1111111111 0.3416 @BOND 1 1 5 1 2 1 25 1 3 2 13 1 4 2 26 1 5 3 14 1 6 3 27 1 7 4 6 1 8 4 8 1 9 4 12 1 10 5 6 1 11 5 7 1 12 5 15 1 13 6 16 1 14 6 17 1 15 7 9 ar 16 7 10 ar 17 8 9 1 18 8 18 1 19 8 19 1 20 9 11 ar 21 10 13 ar 22 10 20 1 23 11 14 ar 24 11 21 1 25 12 22 1 26 12 23 1 27 12 24 1 28 13 14 ar