@MOLECULE 3-(1h-pyrrolo[3,2-b]pyridin-3-yl)-l-alanine 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.6451 1.7542 0.3019 N.3 1 UNL11111111 -0.9552 2 CA 1.8823 0.3033 0.3018 C.3 1 UNL11111111 0.2340 3 C 3.3783 0.1024 0.1263 C.2 1 UNL11111111 0.2898 4 O 4.1170 0.6027 -0.6780 O.2 1 UNL11111111 -0.3438 5 C 1.1685 -0.4782 -0.8347 C.3 1 UNL11111111 -0.6914 6 C -0.2047 -0.8525 -0.4458 C.ar 1 UNL11111111 -0.0702 7 C -0.6818 -2.1425 -0.2553 C.ar 1 UNL11111111 -0.1405 8 C -1.3153 0.0376 -0.2225 C.ar 1 UNL11111111 0.2420 9 N -2.0403 -2.1135 0.0662 N.ar 1 UNL11111111 -0.5162 10 C -2.4563 -0.7879 0.0943 C.ar 1 UNL11111111 0.0637 11 N -1.3983 1.3862 -0.2592 N.ar 1 UNL11111111 -0.4348 12 C -3.6990 -0.1979 0.3549 C.ar 1 UNL11111111 -0.2020 13 C -2.5887 1.9316 -0.0121 C.ar 1 UNL11111111 0.0987 14 C -3.7555 1.1809 0.2941 C.ar 1 UNL11111111 -0.3468 15 OXT 3.8336 -0.8119 1.0212 O.3 1 UNL11111111 -0.4732 16 H1 2.0376 2.2027 -0.5162 H 1 UNL11111111 0.3694 17 H2 0.6491 1.9506 0.3240 H 1 UNL11111111 0.4125 18 HA 1.5525 -0.0958 1.3020 H 1 UNL11111111 0.2203 19 H 1.1472 0.1455 -1.7577 H 1 UNL11111111 0.2911 20 H 1.7563 -1.3804 -1.1072 H 1 UNL11111111 0.2722 21 H -0.1522 -3.0767 -0.3290 H 1 UNL11111111 0.2511 22 H -2.6102 -2.9024 0.2657 H 1 UNL11111111 0.4521 23 H -4.5722 -0.7986 0.5924 H 1 UNL11111111 0.2235 24 H -2.6309 3.0271 -0.0511 H 1 UNL11111111 0.1767 25 H -4.6878 1.7085 0.4817 H 1 UNL11111111 0.2227 26 HXT 4.8070 -0.9680 0.9720 H 1 UNL11111111 0.3543 @BOND 1 1 2 1 2 1 16 1 3 1 17 1 4 2 5 1 5 2 3 1 6 2 18 1 7 3 4 2 8 3 15 1 9 5 6 1 10 5 19 1 11 5 20 1 12 6 7 ar 13 6 8 ar 14 7 9 ar 15 7 21 1 16 8 10 ar 17 8 11 ar 18 9 22 1 19 10 9 ar 20 10 12 ar 21 12 14 ar 22 12 23 1 23 13 14 ar 24 13 11 ar 25 13 24 1 26 14 25 1 27 15 26 1