REMARK  Name = BDB019192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.634  -2.399  -0.133  0.00  0.00    +0.185 C 
ATOM      2  C   LIG    1        0.300  -2.215   1.057  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1        1.653  -2.125   0.369  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1        1.304  -1.350  -0.910  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1       -0.117  -1.506  -1.146  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  15
ATOM      6  C   LIG    1       -2.358   1.815   3.216  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -2.680   1.190   1.888  0.00  0.00    -0.032 A 
ATOM      8  C   LIG    1       -3.324   1.904   0.870  0.00  0.00    +0.044 A 
ATOM      9 CL   LIG    1       -3.781   3.557   1.074  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -3.634   1.285  -0.343  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.275  -0.050  -0.574  0.00  0.00    -0.038 A 
ATOM     12  C   LIG    1       -3.729  -0.734  -1.836  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -3.004  -2.050  -2.077  0.00  0.00    +0.165 C 
ATOM     14  O   LIG    1       -2.943  -2.821  -0.878  0.00  0.00    -0.369 OA
ATOM     15  C   LIG    1       -2.148  -2.206   0.163  0.00  0.00    +0.180 C 
ATOM     16  C   LIG    1       -2.591  -0.773   0.418  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -2.332  -0.150   1.652  0.00  0.00    +0.011 A 
ENDBRANCH   1  15
BRANCH   4  18
ATOM     18  N   LIG    1        1.637   0.066  -0.815  0.00  0.00    -0.303 N 
ATOM     19  C   LIG    1        2.933   0.527  -0.814  0.00  0.00    +0.146 A 
ATOM     20  C   LIG    1        2.896   1.909  -0.696  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        4.130   2.576  -0.673  0.00  0.00    +0.051 A 
ATOM     22  N   LIG    1        5.266   1.829  -0.756  0.00  0.00    -0.240 NA
ATOM     23  C   LIG    1        5.153   0.491  -0.867  0.00  0.00    +0.223 A 
ATOM     24  C   LIG    1        4.281   4.058  -0.538  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        1.526   2.281  -0.624  0.00  0.00    +0.031 A 
ATOM     26  N   LIG    1        4.029  -0.247  -0.898  0.00  0.00    -0.218 NA
ATOM     27  C   LIG    1        0.775   1.127  -0.702  0.00  0.00    +0.091 A 
ENDBRANCH   4  18
BRANCH   2  28
ATOM     28  O   LIG    1        0.242  -3.285   1.988  0.00  0.00    -0.386 OA
ATOM     29  H   LIG    1        0.813  -3.989   1.614  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1        2.108  -3.462   0.083  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1        2.993  -3.373  -0.322  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4