REMARK  Name = BDB044930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.195  -1.316   0.252  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        2.964  -0.188  -0.182  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        2.073   0.736  -0.725  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.481   1.968  -1.250  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1        3.845   2.266  -1.220  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        4.763   1.366  -0.686  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        0.815   0.194  -0.628  0.00  0.00    -0.357 N 
ATOM      8  H   LIG    1       -0.030   0.651  -0.944  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        4.338   0.138  -0.165  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        0.862  -1.048  -0.037  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        1.994  -3.467   1.234  0.00  0.00    -0.296 OA
ATOM     12  C   LIG    1        2.699  -2.525   0.882  0.00  0.00    +0.261 C 
ENDBRANCH   1  12
BRANCH  10  13
ATOM     13  C   LIG    1       -0.364  -1.885   0.210  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.646  -1.245  -0.237  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.412  -0.266   0.477  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -3.521   0.053  -0.308  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -4.485   0.989   0.085  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -4.308   1.621   1.320  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -3.209   1.321   2.121  0.00  0.00    +0.042 A 
ATOM     20 CL   LIG    1       -3.021   2.122   3.635  0.00  0.00    -0.084 Cl
ATOM     21  N   LIG    1       -3.442  -0.710  -1.450  0.00  0.00    -0.360 N 
ATOM     22  H   LIG    1       -4.121  -0.695  -2.198  0.00  0.00    +0.165 HD
ATOM     23  C   LIG    1       -2.253   0.384   1.718  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -2.315  -1.485  -1.423  0.00  0.00    +0.087 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
TORSDOF 3