REMARK  Name = BDB005949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.406   0.425  -1.283  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.823   1.277  -0.336  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1        1.470   1.167  -0.010  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        0.677   0.167  -0.591  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -0.782   0.015  -0.201  0.00  0.00    +0.137 C 
ATOM      6  N   LIG    1       -1.595  -0.624  -1.253  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -1.068  -1.610  -2.080  0.00  0.00    +0.221 C 
ATOM      8  C   LIG    1        0.434  -1.816  -2.105  0.00  0.00    +0.131 C 
ATOM      9  O   LIG    1       -1.779  -2.322  -2.795  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        1.256  -0.708  -1.514  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1        2.617  -0.579  -1.852  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -0.944  -0.631   1.173  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -0.606  -1.973   1.413  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.758  -2.535   2.684  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.245  -1.759   3.731  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -1.432  -2.450   5.295  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -1.581  -0.425   3.520  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.429   0.136   2.249  0.00  0.00    +0.007 A 
ENDBRANCH   5  12
BRANCH   6  19
ATOM     19  C   LIG    1       -3.063  -0.422  -1.293  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -3.834  -1.508  -0.511  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -5.218  -1.056  -0.040  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -5.862  -0.091  -1.026  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.030   1.179  -1.209  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.540   0.986  -0.913  0.00  0.00    +0.022 C 
ENDBRANCH   6  19
BRANCH   1  26
ATOM     25  C   LIG    1        5.282  -0.080  -2.665  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.726   0.642  -1.575  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1        3.510   2.304   0.261  0.00  0.00    -0.486 OA
BRANCH  27  28
ATOM     28  C   LIG    1        4.497   1.836   1.196  0.00  0.00    +0.167 C 
ATOM     29  C   LIG    1        5.756   2.671   0.992  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        3.951   2.030   2.608  0.00  0.00    +0.051 C 
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 5