@MOLECULE 3-mercapto-1-(1,3,4,9-tetrahydro-b-carbolin-2-yl)-propan-1-one 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.9989 1.9034 0.3930 S.3 1 UNL111111 -0.2089 2 C 4.0475 0.3683 0.7473 C.3 1 UNL111111 -0.2787 3 C 2.8707 0.2770 -0.2169 C.3 1 UNL111111 -0.3551 4 C 2.1161 -1.0096 0.0513 C.2 1 UNL111111 0.5790 5 O 2.4023 -1.7385 0.9777 O.2 1 UNL111111 -0.5219 6 N 1.1518 -1.4234 -0.8783 N.am 1 UNL111111 -0.4801 7 C 0.2898 -2.5500 -0.4574 C.3 1 UNL111111 -0.0642 8 C -0.8723 -2.0942 0.4608 C.3 1 UNL111111 -0.2877 9 C -1.4668 -0.8501 -0.0650 C.ar 1 UNL111111 -0.0872 10 C -0.8568 -0.0822 -1.0465 C.ar 1 UNL111111 0.0159 11 C 0.4319 -0.4375 -1.7065 C.3 1 UNL111111 -0.0755 12 N -1.6265 1.0506 -1.3191 N.ar 1 UNL111111 -0.3860 13 C -2.6797 -0.1826 0.3055 C.ar 1 UNL111111 -0.0857 14 C -2.7566 1.0018 -0.5004 C.ar 1 UNL111111 0.1133 15 C -3.8287 1.8985 -0.3981 C.ar 1 UNL111111 -0.2179 16 C -3.6991 -0.4502 1.2246 C.ar 1 UNL111111 -0.0992 17 C -4.7527 0.4395 1.3246 C.ar 1 UNL111111 -0.1936 18 C -4.8156 1.5993 0.5215 C.ar 1 UNL111111 -0.1072 19 H 6.1916 1.5429 0.8829 H 1 UNL111111 0.1593 20 H 4.6938 -0.5257 0.6584 H 1 UNL111111 0.1673 21 H 3.6915 0.3803 1.7976 H 1 UNL111111 0.1759 22 H 2.1832 1.1417 -0.0875 H 1 UNL111111 0.1767 23 H 3.2171 0.2989 -1.2732 H 1 UNL111111 0.1777 24 H -0.1111 -3.0331 -1.3751 H 1 UNL111111 0.1424 25 H 0.9194 -3.3058 0.0669 H 1 UNL111111 0.1679 26 H -1.6264 -2.9012 0.5442 H 1 UNL111111 0.1574 27 H -0.4906 -1.9278 1.4936 H 1 UNL111111 0.1718 28 H 1.0605 0.4547 -1.9137 H 1 UNL111111 0.1516 29 H 0.2377 -0.9145 -2.7032 H 1 UNL111111 0.1665 30 H -1.4265 1.7475 -1.9950 H 1 UNL111111 0.3148 31 H -3.8745 2.7880 -1.0152 H 1 UNL111111 0.1567 32 H -3.6501 -1.3432 1.8432 H 1 UNL111111 0.1546 33 H -5.5553 0.2530 2.0348 H 1 UNL111111 0.1516 34 H -5.6670 2.2690 0.6379 H 1 UNL111111 0.1484 @BOND 1 1 2 1 2 1 19 1 3 2 3 1 4 2 20 1 5 2 21 1 6 3 4 1 7 3 22 1 8 3 23 1 9 4 5 2 10 4 6 am 11 6 7 1 12 6 11 1 13 7 8 1 14 7 24 1 15 7 25 1 16 8 9 1 17 8 26 1 18 8 27 1 19 9 10 ar 20 9 13 ar 21 10 11 1 22 10 12 ar 23 11 28 1 24 11 29 1 25 12 14 ar 26 12 30 1 27 13 14 ar 28 13 16 ar 29 14 15 ar 30 15 18 ar 31 15 31 1 32 16 17 ar 33 16 32 1 34 17 18 ar 35 17 33 1 36 18 34 1