REMARK  Name = BDB013377
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.659  -0.164   0.534  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.030   0.131  -0.687  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.369   0.142  -0.795  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.196  -0.133   0.300  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -3.667  -0.099   0.119  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.564  -0.352   1.309  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -6.035  -0.003   1.068  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -6.495  -0.480  -0.301  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -5.654   0.160  -1.406  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.179   0.157  -1.104  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.288   0.452  -2.266  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -3.735   0.709  -3.380  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.578  -0.437   1.516  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -1.943   0.430  -2.037  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -1.366   0.629  -2.842  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1       -0.181  -0.450   1.631  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.575   0.955   1.695  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.200  -0.184   0.718  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.603  -1.487   1.319  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        2.908  -2.503   1.792  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.977  -0.001  -0.629  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.492   0.040  -0.563  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1        5.168   1.267  -0.500  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        6.558   1.296  -0.439  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        7.188   2.477  -0.376  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        7.301   0.123  -0.443  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.642  -1.102  -0.512  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.246  -1.144  -0.576  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4