REMARK  Name = BDB061975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.655   1.649  -0.144  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.499   0.873   0.058  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.782   1.433  -0.036  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.905   2.790  -0.336  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.768   3.575  -0.539  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        0.502   3.008  -0.444  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        6.163  -0.529   0.213  0.00  0.00    -0.045 A 
ATOM      8  C   LIG    1        5.478   0.675  -0.045  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        4.077   0.671  -0.009  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1        3.418  -0.513   0.273  0.00  0.00    +0.156 A 
ATOM     11  O   LIG    1        2.078  -0.261   0.249  0.00  0.00    -0.435 OA
ATOM     12  C   LIG    1        1.997   1.078  -0.049  0.00  0.00    +0.228 A 
ATOM     13  C   LIG    1        4.043  -1.726   0.528  0.00  0.00    +0.049 A 
ATOM     14  N   LIG    1        3.166   1.675  -0.213  0.00  0.00    -0.209 NA
ATOM     15  C   LIG    1        5.443  -1.707   0.489  0.00  0.00    +0.007 A 
BRANCH   7  17
ATOM     16  C   LIG    1        8.185  -0.885  -1.230  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        7.672  -0.558   0.164  0.00  0.00    +0.032 C 
ENDBRANCH   7  17
ENDBRANCH   1  12
BRANCH   3  18
ATOM     18  N   LIG    1       -2.877   0.569   0.182  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1       -2.635  -0.391   0.397  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -4.219   0.894   0.186  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1       -4.704   2.001  -0.019  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -5.170  -0.235   0.407  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1       -4.956  -1.300   1.296  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1       -3.551  -1.446   2.291  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -5.924  -2.306   1.432  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -7.111  -2.257   0.696  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1       -7.332  -1.190  -0.181  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1       -6.372  -0.181  -0.326  0.00  0.00    +0.047 A 
BRANCH  27  29
ATOM     29  N   LIG    1       -8.578  -1.132  -0.957  0.00  0.00    +0.056 N 
ATOM     30  O   LIG    1       -8.676  -0.255  -1.825  0.00  0.00    -0.126 OA
ATOM     31  O   LIG    1       -9.452  -1.971  -0.698  0.00  0.00    -0.126 OA
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   3  18
TORSDOF 5