REMARK  Name = BDB051916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.095  -0.798  -0.045  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        2.016   0.213   0.271  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        3.404  -0.017   0.259  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1        3.857  -1.298  -0.084  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        2.951  -2.316  -0.408  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        1.573  -2.062  -0.390  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.351   1.058   0.598  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        4.316   2.291  -0.073  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        5.215   3.306   0.257  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1        5.148   4.809  -0.581  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        6.165   3.115   1.256  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        6.216   1.898   1.932  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        5.317   0.879   1.604  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  C   LIG    1       -1.366  -1.282  -0.177  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -0.273  -0.450  -0.001  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -0.476   0.504   0.258  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -1.310  -2.494  -0.342  0.00  0.00    -0.270 OA
BRANCH  14  26
ATOM     18  C   LIG    1       -3.944   3.434  -0.726  0.00  0.00    +0.113 C 
ATOM     19  C   LIG    1       -4.868   2.306  -0.373  0.00  0.00    +0.229 C 
ATOM     20  N   LIG    1       -4.254   1.040  -0.213  0.00  0.00    -0.287 N 
ATOM     21  C   LIG    1       -4.901  -0.159   0.100  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -3.935  -1.173   0.148  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.351  -2.493   0.438  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -5.699  -2.772   0.671  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -6.642  -1.756   0.622  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.659  -0.585  -0.118  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -6.262  -0.442   0.337  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -2.898   0.761  -0.340  0.00  0.00    +0.108 A 
ATOM     29  O   LIG    1       -6.076   2.442  -0.224  0.00  0.00    -0.273 OA
ENDBRANCH  14  26
ENDBRANCH   1  15
BRANCH   5  30
ATOM     30  C   LIG    1        3.412  -3.676  -0.783  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        2.707  -4.605  -1.129  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        4.748  -3.813  -0.705  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        4.898  -4.743  -0.976  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH   5  30
TORSDOF 5