REMARK  Name = BDB032316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.953  -1.402   0.354  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.268  -0.633   1.284  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1        1.083  -0.528   1.347  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1        1.828  -1.203   0.450  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        1.216  -2.019  -0.503  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -0.175  -2.122  -0.551  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        3.230  -1.121   0.504  0.00  0.00    -0.306 N 
ATOM      8  C   LIG    1        3.718  -0.441   1.732  0.00  0.00    +0.182 C 
ATOM      9  C   LIG    1        5.200  -0.237   1.728  0.00  0.00    +0.151 A 
ATOM     10  N   LIG    1        6.005   0.135   2.700  0.00  0.00    -0.133 NA
ATOM     11  N   LIG    1        7.281   0.207   2.184  0.00  0.00    -0.128 NA
ATOM     12  C   LIG    1        7.230  -0.120   0.906  0.00  0.00    +0.200 A 
ATOM     13  N   LIG    1        5.932  -0.394   0.584  0.00  0.00    -0.307 N 
ATOM     14  C   LIG    1        5.371  -0.822  -0.679  0.00  0.00    +0.144 C 
ATOM     15  C   LIG    1        3.852  -0.599  -0.728  0.00  0.00    +0.128 C 
BRANCH  12  16
ATOM     16  C   LIG    1        8.352  -0.197  -0.054  0.00  0.00    +0.408 C 
ATOM     17  F   LIG    1        8.382  -1.413  -0.670  0.00  0.00    -0.201 F 
ATOM     18  F   LIG    1        8.196   0.714  -1.055  0.00  0.00    -0.201 F 
ENDBRANCH  12  16
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.451  -1.525   0.365  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.117  -0.265   0.702  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1       -3.893  -0.423   1.341  0.00  0.00    +0.146 HD
BRANCH  20  28
ATOM     22  C   LIG    1       -8.424   2.011   0.174  0.00  0.00    +0.063 C 
ATOM     23  C   LIG    1       -7.025   1.736  -0.233  0.00  0.00    +0.015 A 
ATOM     24  N   LIG    1       -6.497   2.243  -1.396  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -6.972   2.828  -2.067  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1       -5.195   1.848  -1.535  0.00  0.00    +0.140 A 
ATOM     27  C   LIG    1       -4.859   1.063  -0.438  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -3.549   0.531  -0.374  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -2.695   0.895  -1.426  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -3.163   1.696  -2.462  0.00  0.00    +0.115 A 
ATOM     31  N   LIG    1       -4.413   2.191  -2.573  0.00  0.00    -0.237 NA
ATOM     32  C   LIG    1       -6.027   1.000   0.380  0.00  0.00    +0.034 A 
ENDBRANCH  20  28
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5