REMARK  Name = BDB005950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.167  -1.033  -0.521  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.291  -1.364   0.522  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1       -2.024  -0.784   0.605  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -1.628   0.187  -0.324  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -0.276   0.877  -0.225  0.00  0.00    +0.137 C 
ATOM      6  N   LIG    1        0.264   1.217  -1.555  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1       -0.583   1.560  -2.611  0.00  0.00    +0.221 C 
ATOM      8  C   LIG    1       -2.076   1.600  -2.326  0.00  0.00    +0.131 C 
ATOM      9  O   LIG    1       -0.168   1.855  -3.734  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.510   0.545  -1.350  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -3.777  -0.055  -1.440  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -0.303   2.060   0.747  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1       -0.212   1.817   2.132  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.238   2.869   3.052  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.354   4.181   2.600  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.381   5.477   3.730  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.444   4.448   1.237  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.420   3.395   0.318  0.00  0.00    +0.007 A 
ENDBRANCH   5  12
BRANCH   6  19
ATOM     19  C   LIG    1        1.699   1.005  -1.853  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        2.690   1.505  -0.783  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        3.262   0.422   0.134  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1        3.775  -0.832  -0.609  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1        3.391  -0.868  -2.095  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        1.937  -0.455  -2.276  0.00  0.00    +0.024 C 
BRANCH  22  25
ATOM     25  N   LIG    1        5.213  -1.091  -0.401  0.00  0.00    -0.302 N 
ATOM     26  C   LIG    1        6.153  -0.152  -0.813  0.00  0.00    +0.212 C 
ATOM     27  O   LIG    1        5.844   0.933  -1.308  0.00  0.00    -0.276 OA
ATOM     28  C   LIG    1        7.609  -0.497  -0.630  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1        5.559  -2.423   0.081  0.00  0.00    +0.132 C 
ENDBRANCH  22  25
ENDBRANCH   6  19
BRANCH   1  31
ATOM     30  C   LIG    1       -5.997  -1.784  -1.829  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -5.374  -1.681  -0.555  0.00  0.00    -0.491 OA
ENDBRANCH   1  31
BRANCH   2  32
ATOM     32  O   LIG    1       -3.577  -2.326   1.460  0.00  0.00    -0.486 OA
BRANCH  32  33
ATOM     33  C   LIG    1       -4.632  -1.936   2.355  0.00  0.00    +0.167 C 
ATOM     34  C   LIG    1       -5.553  -3.138   2.532  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -4.004  -1.543   3.689  0.00  0.00    +0.051 C 
ENDBRANCH  32  33
ENDBRANCH   2  32
TORSDOF 6