REMARK  Name = BDB013192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.306  -0.231  -0.143  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.825   0.376   1.004  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -2.169   0.434   1.278  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -2.352   1.019   2.443  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -1.115   1.396   2.922  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -3.050  -0.115   0.311  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.475  -0.679  -0.773  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -0.216   1.029   2.035  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -1.120  -0.741  -1.030  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.516  -0.122   0.437  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -5.394   0.633  -0.338  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1       -6.746   0.522  -0.204  0.00  0.00    -0.234 NA
ATOM     13  C   LIG    1       -7.203  -0.305   0.745  0.00  0.00    +0.221 A 
ATOM     14  N   LIG    1       -6.448  -1.052   1.558  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1       -5.116  -0.933   1.388  0.00  0.00    +0.123 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -4.892   1.590  -1.402  0.00  0.00    +0.390 C 
ATOM     17  F   LIG    1       -5.790   2.560  -1.741  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1       -3.757   2.261  -1.052  0.00  0.00    -0.202 F 
ENDBRANCH  11  16
ENDBRANCH   6  10
BRANCH   1  19
ATOM     19  N   LIG    1        1.053  -0.284  -0.369  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.184  -0.575  -1.339  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.885  -1.152   0.464  0.00  0.00    +0.143 C 
BRANCH  21  24
ATOM     22  F   LIG    1        3.192  -3.453  -0.536  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        3.895  -2.311  -0.524  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1        3.301  -1.138  -0.037  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.087   0.011  -0.044  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.754   1.405   0.338  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        5.159   2.006   0.346  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        6.022   1.199  -0.487  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        5.390  -0.016  -0.529  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        5.970  -1.166  -1.024  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        5.207  -2.333  -1.014  0.00  0.00    +0.042 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5