REMARK  Name = BDB017065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.444  -0.430   0.674  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.242  -1.557   0.707  0.00  0.00    -0.325 N 
ATOM      3  C   LIG    1       -0.429  -2.655   0.682  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.835  -2.317   0.603  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.853  -0.931   0.599  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      6  F   LIG    1       -2.520   4.751   0.748  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -2.014   3.511   0.731  0.00  0.00    +0.123 A 
ATOM      8  C   LIG    1       -1.704   2.915  -0.486  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -1.177   1.624  -0.504  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.968   0.931   0.696  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.279   1.548   1.915  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.805   2.841   1.931  0.00  0.00    +0.039 A 
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1        2.101  -0.170   0.529  0.00  0.00    +0.092 A 
ATOM     14  N   LIG    1        2.024   1.183   0.574  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        3.174   1.882   0.512  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1        4.422   1.297   0.406  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        4.500  -0.096   0.361  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        3.316  -0.838   0.424  0.00  0.00    +0.041 A 
BRANCH  17  19
ATOM     19  C   LIG    1        5.792  -0.756   0.250  0.00  0.00    +0.204 A 
ATOM     20  N   LIG    1        5.973  -2.088   0.197  0.00  0.00    -0.133 NA
ATOM     21  N   LIG    1        7.309  -2.143   0.102  0.00  0.00    -0.176 N 
ATOM     22  H   LIG    1        7.811  -3.024   0.042  0.00  0.00    +0.214 HD
ATOM     23  N   LIG    1        7.947  -0.969   0.091  0.00  0.00    -0.049 NA
ATOM     24  N   LIG    1        6.982  -0.066   0.186  0.00  0.00    -0.108 NA
ENDBRANCH  17  19
ENDBRANCH   5  13
BRANCH   2  25
ATOM     25  C   LIG    1       -2.698  -1.612   0.806  0.00  0.00    +0.160 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.391  -1.156  -0.458  0.00  0.00    -0.009 A 
ATOM     27  C   LIG    1       -4.432  -0.211  -0.446  0.00  0.00    +0.046 A 
ATOM     28 CL   LIG    1       -5.013   0.504   1.017  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -5.053   0.184  -1.636  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -4.657  -0.365  -2.853  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.644  -1.317  -2.884  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.021  -1.714  -1.699  0.00  0.00    +0.007 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5