REMARK  Name = BDB060712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.135  -1.594  -0.882  0.00  0.00    +0.140 A 
ATOM      2  C   LIG    1       -1.080  -2.978  -1.113  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1        0.203  -3.511  -1.268  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.340  -4.878  -1.490  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -0.762  -5.734  -1.567  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.039  -5.213  -1.424  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1        1.307  -2.767  -1.210  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        1.160  -1.455  -1.007  0.00  0.00    +0.217 A 
ATOM      9  C   LIG    1       -2.189  -3.849  -1.201  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1       -3.438  -3.364  -1.095  0.00  0.00    -0.205 F 
ATOM     11  N   LIG    1       -0.014  -0.852  -0.845  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -2.385  -0.978  -0.627  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1       -3.128  -1.433  -1.143  0.00  0.00    +0.155 HD
BRANCH  12  18
ATOM     14  C   LIG    1       -3.827   2.039   0.474  0.00  0.00    +0.038 A 
ATOM     15  N   LIG    1       -2.544   2.085   0.941  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -2.097   2.819   1.481  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -1.819   1.004   0.633  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1       -2.639   0.235  -0.086  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1       -3.919   0.837  -0.194  0.00  0.00    +0.068 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.741   4.193  -0.369  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -4.811   3.126   0.712  0.00  0.00    +0.051 C 
ENDBRANCH  14  21
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   8  22
ATOM     22  N   LIG    1        2.268  -0.617  -0.947  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        1.889   0.239  -0.542  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.380  -1.181  -0.194  0.00  0.00    +0.109 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.533  -0.172  -0.096  0.00  0.00    +0.054 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.207   1.035   0.756  0.00  0.00    -0.046 A 
ATOM     27  C   LIG    1        4.252   0.951   2.156  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        3.931   2.062   2.938  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        3.563   3.252   2.322  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1        3.253   4.316   3.075  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        3.511   3.354   0.938  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        3.832   2.246   0.153  0.00  0.00    +0.006 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 7