@MOLECULE pyrrolnitrin 22 23 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.8741 -0.1571 2.0459 Cl 1 UNL1111111111 -0.0118 2 CL 3.4725 -0.7030 0.2489 Cl 1 UNL1111111111 -0.0228 3 O -0.1474 -1.9793 0.2978 O.2 1 UNL1111111111 -0.3541 4 O 1.2417 -1.9943 -1.3494 O.2 1 UNL1111111111 -0.3815 5 N -3.4913 -0.0126 -1.4594 N.ar 1 UNL1111111111 -0.2751 6 N 0.6496 -1.4386 -0.4420 N.pl3 1 UNL1111111111 0.6263 7 C -0.1077 0.9227 -0.3890 C.ar 1 UNL1111111111 0.0954 8 C -1.4781 0.4990 -0.5833 C.ar 1 UNL1111111111 -0.1682 9 C 0.9280 -0.0127 -0.2575 C.ar 1 UNL1111111111 -0.0949 10 C 0.1890 2.2856 -0.2824 C.ar 1 UNL1111111111 -0.1692 11 C -2.3220 0.0017 0.4473 C.ar 1 UNL1111111111 -0.0466 12 C -2.2320 0.4831 -1.7594 C.ar 1 UNL1111111111 -0.0524 13 C 2.2208 0.4287 0.0262 C.ar 1 UNL1111111111 0.0466 14 C -3.5597 -0.3137 -0.1019 C.ar 1 UNL1111111111 -0.1056 15 C 1.4885 2.7097 -0.0238 C.ar 1 UNL1111111111 -0.0874 16 C 2.5146 1.7804 0.1443 C.ar 1 UNL1111111111 -0.1813 17 H -0.6163 3.0137 -0.3929 H 1 UNL1111111111 0.1728 18 H -1.9478 0.7752 -2.7526 H 1 UNL1111111111 0.1769 19 H -4.4394 -0.7175 0.3609 H 1 UNL1111111111 0.1824 20 H -4.2287 -0.1493 -2.1122 H 1 UNL1111111111 0.3115 21 H 1.7060 3.7764 0.0536 H 1 UNL1111111111 0.1608 22 H 3.5293 2.1158 0.3649 H 1 UNL1111111111 0.1781 @BOND 1 1 11 1 2 2 13 1 3 3 6 2 4 4 6 2 5 5 12 ar 6 5 14 ar 7 5 20 1 8 6 9 1 9 7 8 1 10 7 9 ar 11 7 10 ar 12 8 11 ar 13 8 12 ar 14 9 13 ar 15 10 15 ar 16 10 17 1 17 11 14 ar 18 12 18 1 19 13 16 ar 20 14 19 1 21 15 16 ar 22 15 21 1 23 16 22 1