REMARK  Name = BDB013208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.657   0.008   0.565  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.876   0.796   1.447  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.512   0.668   1.355  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.003   1.542   2.271  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.983   2.143   2.907  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.124  -0.204   0.458  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.607  -0.926  -0.350  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.169   1.672   2.386  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.980  -0.806  -0.273  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.207   1.512  -1.521  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.870   0.688  -0.454  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.129   0.007   0.522  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.835  -0.710   1.497  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.226  -0.740   1.467  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        6.871  -0.052   0.456  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.229   0.652  -0.500  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.503  -0.269   0.453  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.982  -0.022   1.312  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.195  -1.304  -0.297  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.666  -0.993  -0.338  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -4.276  -0.217  -1.352  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -5.646   0.022  -1.291  0.00  0.00    +0.135 A 
ATOM     23  O   LIG    1       -6.043   0.779  -2.349  0.00  0.00    -0.463 OA
ATOM     24  C   LIG    1       -4.937   1.037  -3.092  0.00  0.00    +0.196 A 
ATOM     25  C   LIG    1       -6.484  -0.449  -0.283  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.877  -1.202   0.723  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.828   0.452  -2.526  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -4.507  -1.459   0.691  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.973  -2.171   1.695  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4