REMARK  Name = BDB061978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.853  -0.417  -0.124  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1       -1.331  -0.915  -1.294  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1        0.010  -0.710  -1.170  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1        0.237  -0.106   0.053  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        1.551   0.212   0.421  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        2.599  -0.095  -0.469  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        2.314  -0.709  -1.698  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        1.002  -1.035  -2.081  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1       -0.953   0.077   0.710  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -6.104  -0.638   0.401  0.00  0.00    -0.048 A 
ATOM     11  C   LIG    1       -5.286  -0.077   1.387  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.901  -0.012   1.206  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.304  -0.500   0.035  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.130  -1.056  -0.953  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.515  -1.122  -0.773  0.00  0.00    +0.004 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -8.282   0.556   0.054  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -7.599  -0.694   0.587  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1        3.903   0.249  -0.045  0.00  0.00    -0.281 N 
ATOM     19  H   LIG    1        3.956   0.679   0.872  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        5.093   0.041  -0.717  0.00  0.00    +0.251 C 
ATOM     21  O   LIG    1        5.217  -0.461  -1.829  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        6.331   0.526  -0.051  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        6.564   0.535   1.318  0.00  0.00    +0.141 A 
ATOM     24 CL   LIG    1        5.458  -0.056   2.499  0.00  0.00    -0.061 Cl
ATOM     25  N   LIG    1        7.703   0.996   1.894  0.00  0.00    -0.243 NA
ATOM     26  C   LIG    1        8.669   1.449   1.068  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1        8.550   1.465  -0.310  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        7.366   0.995  -0.873  0.00  0.00    +0.017 A 
ENDBRANCH  20  22
ENDBRANCH   6  18
TORSDOF 4