REMARK  Name = BDB028598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.474   3.419  -1.128  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1       -2.349   2.579  -0.484  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1       -1.744   1.407  -0.453  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1       -0.486   1.474  -1.017  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.371   0.363  -1.082  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.033  -0.796  -0.641  0.00  0.00    -0.224 NA
ATOM      7  C   LIG    1       -1.297  -0.875  -0.097  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -2.179   0.140   0.042  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -0.319   2.758  -1.480  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.560  -0.047   0.676  0.00  0.00    +0.026 C 
ATOM     11  C   LIG    1       -4.607  -0.332  -0.416  0.00  0.00    +0.023 C 
ATOM     12  C   LIG    1       -5.877  -0.915   0.194  0.00  0.00    +0.081 C 
ATOM     13  N   LIG    1       -5.648  -2.204   0.848  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1       -6.350  -2.340   1.576  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -4.305  -2.376   1.396  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -3.653  -1.067   1.832  0.00  0.00    +0.023 C 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     17  N   LIG    1       -2.020   5.911  -1.589  0.00  0.00    -0.189 NA
ATOM     18  C   LIG    1       -1.794   4.791  -1.377  0.00  0.00    +0.121 C 
ENDBRANCH   1  18
BRANCH   5  19
ATOM     19  N   LIG    1        1.637   0.471  -1.615  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.013  -0.469  -1.726  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.626   1.340  -0.983  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.960   0.657  -0.901  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.206  -0.400  -0.028  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.296  -1.102   0.911  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1        4.329  -1.895   1.711  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1        5.523  -2.053   0.911  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.448  -1.023   0.010  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.491  -0.638  -0.807  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        6.271   0.424  -1.684  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        5.022   1.058  -1.723  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        4.850   2.075  -2.580  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 5