REMARK  Name = BDB013033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.054  -0.063   0.127  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.224   1.049  -0.188  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.867   0.868  -0.083  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.312   2.080  -0.372  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.255   2.938  -0.686  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.282  -0.343   0.297  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.042  -1.353   0.622  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.465   2.287  -0.572  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.411  -1.184   0.528  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  F   LIG    1        4.664  -2.106  -1.089  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        5.282  -1.060  -0.517  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1        4.535  -0.040   0.089  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        5.236   1.043   0.646  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        6.634   1.087   0.609  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.353   0.054   0.011  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.675  -1.022  -0.556  0.00  0.00    +0.039 A 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.087  -0.478   0.359  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.283  -1.342   0.868  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.849  -0.521  -0.886  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.282  -0.866  -0.583  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -4.165   0.059  -0.035  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.969   1.492   0.295  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.238   1.735   1.111  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.229   0.749   0.748  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.485  -0.280   0.231  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -5.986  -1.538  -0.027  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.115  -2.491  -0.555  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.776  -2.160  -0.826  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4