REMARK  Name = BDB061125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.794   0.930  -0.019  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -1.624  -0.216   0.049  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -3.015  -0.048   0.042  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -3.573   1.230  -0.022  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.745   2.354  -0.082  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -1.356   2.206  -0.081  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.008  -1.492   0.117  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.252  -2.173   1.410  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -0.813  -3.653   1.330  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.504  -4.450   0.292  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -2.513  -5.336   0.866  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.100  -3.587  -0.752  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -1.254  -2.336  -1.081  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1        1.632   1.571  -0.092  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1        0.594   0.674  -0.024  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        0.791  -0.325  -0.003  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        1.550   2.793  -0.112  0.00  0.00    -0.270 OA
BRANCH  14  22
ATOM     18  C   LIG    1        5.213  -1.723  -1.638  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        4.708  -0.607  -0.766  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.401  -0.097  -0.878  0.00  0.00    +0.059 A 
ATOM     21 CL   LIG    1        2.343  -0.757  -2.085  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        2.989   0.964  -0.052  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        3.888   1.534   0.867  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        5.170   1.014   1.024  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1        5.571  -0.027   0.174  0.00  0.00    +0.148 A 
ATOM     26  F   LIG    1        6.829  -0.487   0.283  0.00  0.00    -0.203 F 
BRANCH  24  27
ATOM     27  N   LIG    1        6.095   1.661   1.855  0.00  0.00    -0.356 N 
ATOM     28  H   LIG    1        5.697   2.139   2.657  0.00  0.00    +0.142 HD
ATOM     29  H   LIG    1        6.900   1.083   2.088  0.00  0.00    +0.142 HD
ENDBRANCH  24  27
ENDBRANCH  14  22
ENDBRANCH   1  15
BRANCH   5  30
ATOM     30  C   LIG    1       -3.323   3.661  -0.149  0.00  0.00    -0.065 C 
ATOM     31  C   LIG    1       -3.798   4.763  -0.209  0.00  0.00    -0.082 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -4.366   6.109  -0.286  0.00  0.00    +0.168 C 
BRANCH  32  33
ATOM     33  N   LIG    1       -3.603   6.923  -1.223  0.00  0.00    -0.320 NA
ATOM     34  H   LIG    1       -2.630   6.942  -0.916  0.00  0.00    +0.119 HD
ATOM     35  H   LIG    1       -3.593   6.452  -2.127  0.00  0.00    +0.119 HD
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH   5  30
TORSDOF 7