REMARK  Name = BDB041308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.600  -0.142   0.549  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.275   1.191   0.830  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1       -0.998   1.470   1.345  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.266   2.819   1.575  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -0.393   3.822   1.365  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1        0.795   3.443   0.891  0.00  0.00    +0.221 A 
ATOM      7  C   LIG    1       -1.914   0.423   1.582  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -1.598  -0.852   1.310  0.00  0.00    -0.239 NA
ATOM      9  N   LIG    1        1.165   2.184   0.614  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -0.374  -1.104   0.802  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.401  -1.377  -1.076  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1        3.594  -0.460  -1.761  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        2.365  -0.054  -1.230  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        1.905  -0.554  -0.002  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        2.717  -1.477   0.677  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.946  -1.884   0.148  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1        5.734  -1.815  -1.649  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.862   0.354  -1.758  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        6.915  -1.022  -1.276  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        7.215  -1.069   0.151  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   7  21
ATOM     21  N   LIG    1       -3.184   0.717   2.123  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -3.042   1.128   3.042  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.118  -0.410   2.212  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.723  -0.781   0.884  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.239   0.147  -0.017  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.249   1.629   0.030  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.231   1.909  -1.107  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.249   0.775  -2.004  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.801  -0.259  -1.223  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -5.883  -1.587  -1.591  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.397  -2.537  -0.695  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.836  -2.133   0.525  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.407  -3.084   1.368  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 6