REMARK  Name = BDB019923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.206  -2.784   1.556  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.167  -2.554   1.703  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.659  -1.246   1.725  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.222  -0.163   1.669  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.598  -0.373   1.509  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.079  -1.690   1.455  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -0.456  -5.011  -0.487  0.00  0.00    +0.173 C 
ATOM      8  N   LIG    1       -1.383  -5.119   0.616  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1       -1.739  -4.142   1.520  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1       -2.696  -4.735   2.323  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -2.823  -6.050   1.847  0.00  0.00    +0.135 A 
ATOM     12  N   LIG    1       -2.028  -6.289   0.805  0.00  0.00    -0.179 NA
ENDBRANCH   1   9
BRANCH   3  13
ATOM     13  C   LIG    1        2.117  -1.029   1.847  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1        2.736  -0.077   1.073  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        3.734  -0.054   1.251  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        2.770  -1.701   2.640  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.329   0.333  -0.259  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.812   1.723  -0.588  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1        3.473   1.980  -1.798  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        3.880   3.278  -2.128  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1        4.678   3.506  -3.644  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        3.625   4.336  -1.249  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1        4.083   5.964  -1.598  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        2.963   4.090  -0.045  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        2.555   2.794   0.280  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   3  13
BRANCH   5  26
ATOM     26  C   LIG    1       -2.529   0.811   1.356  0.00  0.00    +0.159 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.356   1.430   0.057  0.00  0.00    -0.313 N 
ATOM     28  C   LIG    1       -1.533   2.536  -0.172  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -0.860   3.191   0.705  0.00  0.00    -0.268 NA
ATOM     30  H   LIG    1       -0.363   3.950   0.235  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1       -1.606   2.740  -1.554  0.00  0.00    -0.320 N 
ATOM     32  C   LIG    1       -0.847   3.723  -2.288  0.00  0.00    +0.152 C 
ATOM     33  C   LIG    1       -2.416   1.766  -2.125  0.00  0.00    +0.106 A 
ATOM     34  C   LIG    1       -2.873   0.972  -1.147  0.00  0.00    +0.107 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6