@MOLECULE 7-azatryptophan 26 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CA -2.0199 0.1688 0.4368 C.3 1 UNL1 0.0024 2 C 0.6248 2.0697 -0.1949 C.ar 1 UNL1 -0.0376 3 C 1.5184 -1.4720 -0.5007 C.ar 1 UNL1 -0.0569 4 C 2.7831 -1.9542 -0.2162 C.ar 1 UNL1 -0.2760 5 C 3.8087 -1.0706 0.2144 C.ar 1 UNL1 0.0823 6 C -1.1990 0.3995 -0.8612 C.3 1 UNL1 -0.3067 7 H 2.5424 2.7963 0.4501 H 1 UNL1 0.3281 8 H1 -1.5205 -1.7850 0.9347 H 1 UNL1 0.2622 9 H2 -0.5143 -0.6507 1.5750 H 1 UNL1 0.2664 10 C 0.1765 0.7927 -0.5036 C.ar 1 UNL1 -0.0955 11 O -3.7497 -1.3544 -0.4018 O.2 1 UNL1 -0.5027 12 OXT -4.2902 0.7373 0.1572 O.3 1 UNL1 -0.5610 13 C -3.4086 -0.2847 0.0244 C.2 1 UNL1 0.6273 14 HXT -5.2193 0.4976 -0.0800 H 1 UNL1 0.3549 15 N -1.4755 -0.8587 1.3380 N.3 1 UNL1 -0.6244 16 C 1.2875 -0.1021 -0.3436 C.ar 1 UNL1 -0.1550 17 C 2.3971 0.7059 0.0865 C.ar 1 UNL1 0.2354 18 N 3.6411 0.2445 0.3685 N.ar 1 UNL1 -0.3941 19 N 1.9758 2.0278 0.1657 N.ar 1 UNL1 -0.3548 20 H 0.0849 2.9997 -0.2049 H 1 UNL1 0.1756 21 H -1.1995 -0.5202 -1.4855 H 1 UNL1 0.1692 22 H -1.6912 1.1762 -1.4844 H 1 UNL1 0.1679 23 H 0.7215 -2.1311 -0.8417 H 1 UNL1 0.1610 24 HA -2.0805 1.1305 1.0199 H 1 UNL1 0.1836 25 H 3.0117 -3.0116 -0.3203 H 1 UNL1 0.1722 26 H 4.8128 -1.4511 0.4431 H 1 UNL1 0.1762 @BOND 1 21 6 1 2 22 6 1 3 6 10 1 4 6 1 1 5 23 3 1 6 10 16 ar 7 10 2 ar 8 3 16 ar 9 3 4 ar 10 11 13 2 11 16 17 ar 12 25 4 1 13 4 5 ar 14 20 2 1 15 2 19 ar 16 14 12 1 17 13 12 1 18 13 1 1 19 17 19 ar 20 17 18 ar 21 19 7 1 22 5 18 ar 23 5 26 1 24 1 24 1 25 1 15 1 26 8 15 1 27 15 9 1