@MOLECULE n-[(1-chloro-4-hydroxy-3-isoquinolinyl)carbonyl]glycine 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.7124 -2.9612 -0.1911 Cl 1 UNL11 -0.0305 2 O -0.5722 2.6863 0.0048 O.3 1 UNL11 -0.4453 3 O 1.8838 2.0020 -0.3806 O.2 1 UNL11 -0.6146 4 O 5.8983 0.2778 0.4410 O.3 1 UNL11 -0.5626 5 OXT 4.4525 -1.3007 1.0831 O.2 1 UNL11 -0.4798 6 N -0.1610 -0.9251 -0.2655 N.ar 1 UNL11 -0.2923 7 N 2.4989 -0.1623 -0.6219 N.am 1 UNL11 -0.5126 8 C -2.2095 0.9991 0.0972 C.ar 1 UNL11 -0.0813 9 C -2.5205 -0.3778 0.0507 C.ar 1 UNL11 -0.0148 10 C -0.8297 1.3859 -0.0446 C.ar 1 UNL11 0.3340 11 CA 0.1507 0.4111 -0.2272 C.ar 1 UNL11 -0.1991 12 C -3.2362 1.9503 0.2722 C.ar 1 UNL11 -0.0906 13 C -1.4117 -1.2778 -0.1328 C.ar 1 UNL11 0.1124 14 C -3.8633 -0.7856 0.1789 C.ar 1 UNL11 -0.1498 15 C 1.5643 0.8089 -0.3969 C.2 1 ACE11 0.6316 16 C -4.5433 1.5309 0.3953 C.ar 1 UNL11 -0.1522 17 C -4.8563 0.1574 0.3478 C.ar 1 UNL11 -0.1076 18 CA 3.8994 0.1992 -0.7750 C.3 1 UNL11 -0.1414 19 C 4.7177 -0.3843 0.3563 C.2 1 UNL11 0.6115 20 H -2.9748 3.0116 0.3063 H 1 UNL11 0.1796 21 H -4.1170 -1.8461 0.1441 H 1 UNL11 0.1733 22 H -5.3463 2.2555 0.5296 H 1 UNL11 0.1613 23 H -5.8976 -0.1535 0.4460 H 1 UNL11 0.1592 24 H 2.2591 -1.1484 -0.5404 H 1 UNL11 0.3507 25 HA1 4.0260 1.3186 -0.8087 H 1 UNL11 0.2185 26 HA2 4.2908 -0.1831 -1.7518 H 1 UNL11 0.1796 27 H 0.4515 2.8531 -0.1150 H 1 UNL11 0.4019 28 H 6.4913 -0.0471 1.1632 H 1 UNL11 0.3609 @BOND 1 1 13 1 2 2 10 1 3 2 27 1 4 3 15 2 5 4 19 1 6 4 28 1 7 5 19 2 8 6 11 ar 9 6 13 ar 10 7 15 am 11 7 18 1 12 7 24 1 13 8 9 ar 14 8 10 ar 15 8 12 ar 16 9 13 ar 17 9 14 ar 18 10 11 ar 19 11 15 1 20 12 16 ar 21 12 20 1 22 14 17 ar 23 14 21 1 24 16 17 ar 25 16 22 1 26 17 23 1 27 18 19 1 28 18 25 1 29 18 26 1