REMARK  Name = BDB030599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.205   0.158   0.724  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.273   1.161   0.459  0.00  0.00    +0.203 A 
ATOM      3  F   LIG    1       -1.650   2.433   0.243  0.00  0.00    -0.198 F 
ATOM      4  C   LIG    1        0.081   0.833   0.463  0.00  0.00    +0.159 A 
ATOM      5  N   LIG    1        0.488  -0.427   0.688  0.00  0.00    -0.218 NA
ATOM      6  C   LIG    1       -0.470  -1.327   0.948  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1       -1.791  -1.098   0.986  0.00  0.00    -0.218 NA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -4.063   0.890  -0.572  0.00  0.00    +0.131 C 
ATOM      9  N   LIG    1       -3.596   0.451   0.751  0.00  0.00    -0.311 N 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.393  -0.637   1.350  0.00  0.00    +0.142 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.755  -0.127   1.789  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1       -6.972  -0.595   1.255  0.00  0.00    +0.064 A 
ATOM     13 CL   LIG    1       -6.976  -1.798   0.004  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -8.188  -0.073   1.731  0.00  0.00    +0.060 A 
ATOM     15 CL   LIG    1       -9.725  -0.592   1.126  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1       -8.199   0.906   2.729  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -7.001   1.376   3.258  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.792   0.864   2.792  0.00  0.00    +0.007 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  N   LIG    1        1.020   1.830   0.130  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        0.727   2.712   0.551  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.432   1.537   0.367  0.00  0.00    +0.109 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.181   1.390  -0.971  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        2.848   0.076  -1.694  0.00  0.00    +0.133 C 
ATOM     24  C   LIG    1        3.529  -1.148  -1.037  0.00  0.00    +0.116 C 
ATOM     25  N   LIG    1        4.975  -1.024  -0.730  0.00  0.00    -0.292 NA
ATOM     26  C   LIG    1        5.269   0.246  -0.057  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1        4.704   1.482  -0.761  0.00  0.00    +0.023 C 
BRANCH  23  28
ATOM     28  O   LIG    1        3.262   0.175  -3.063  0.00  0.00    -0.390 OA
ATOM     29  H   LIG    1        2.706   0.855  -3.482  0.00  0.00    +0.210 HD
ENDBRANCH  23  28
BRANCH  25  30
ATOM     30  C   LIG    1        5.826  -1.202  -1.938  0.00  0.00    +0.180 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.885  -2.675  -2.360  0.00  0.00    +0.225 C 
ATOM     32  O   LIG    1        6.044  -3.054  -3.515  0.00  0.00    -0.275 OA
ATOM     33  N   LIG    1        5.827  -3.570  -1.325  0.00  0.00    -0.328 N 
ATOM     34  H   LIG    1        5.727  -4.545  -1.566  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        5.427  -3.227  -0.458  0.00  0.00    +0.145 HD
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 9