REMARK  Name = BDB060717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.211  -1.496   0.128  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -0.849  -2.842  -0.038  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1        0.522  -3.107   0.011  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.962  -4.417  -0.156  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.076  -5.477  -0.365  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.287  -5.227  -0.406  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1        1.435  -2.155   0.208  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        1.001  -0.902   0.369  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1       -1.738  -3.922  -0.242  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1       -3.064  -3.710  -0.255  0.00  0.00    -0.205 F 
ATOM     11  N   LIG    1       -0.280  -0.549   0.341  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -2.572  -1.121   0.015  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1       -3.184  -1.862   0.337  0.00  0.00    +0.155 HD
BRANCH  12  18
ATOM     14  C   LIG    1       -4.690   1.681  -0.213  0.00  0.00    +0.038 A 
ATOM     15  N   LIG    1       -3.460   2.155  -0.573  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -3.205   3.098  -0.846  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -2.500   1.224  -0.564  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1       -3.107   0.109  -0.153  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1       -4.490   0.346   0.063  0.00  0.00    +0.068 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -6.611   2.576  -1.515  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -5.902   2.538  -0.170  0.00  0.00    +0.051 C 
ENDBRANCH  14  21
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   8  22
ATOM     22  N   LIG    1        1.897   0.128   0.587  0.00  0.00    -0.305 N 
ATOM     23  H   LIG    1        1.370   0.987   0.444  0.00  0.00    +0.150 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.142   0.065  -0.172  0.00  0.00    +0.119 C 
ATOM     25  C   LIG    1        2.895   0.361  -1.656  0.00  0.00    +0.034 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.134   1.049   0.457  0.00  0.00    +0.061 A 
ATOM     27  N   LIG    1        4.404   2.221  -0.179  0.00  0.00    -0.257 NA
ATOM     28  C   LIG    1        5.261   3.082   0.422  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        5.870   2.840   1.643  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        5.582   1.642   2.291  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.703   0.738   1.695  0.00  0.00    +0.026 A 
BRANCH  29  32
ATOM     32  C   LIG    1        6.762   3.799   2.211  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        7.489   4.578   2.672  0.00  0.00    -0.191 NA
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 7