REMARK  Name = BDB041309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.825  -0.140  -0.551  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        0.094  -0.457  -1.699  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1       -1.290  -0.629  -1.576  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.960  -0.914  -2.765  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -1.367  -1.051  -3.966  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -0.043  -0.882  -3.964  0.00  0.00    +0.221 A 
ATOM      7  C   LIG    1       -1.911  -0.498  -0.314  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -1.206  -0.169   0.782  0.00  0.00    -0.239 NA
ATOM      9  N   LIG    1        0.709  -0.590  -2.894  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        0.126  -0.002   0.644  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        2.721  -2.289   0.306  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.190  -0.934  -0.152  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1        2.283   0.066  -0.567  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        2.794   1.306  -0.990  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.167   1.563  -0.993  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.069   0.584  -0.566  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        4.569  -0.659  -0.151  0.00  0.00    +0.009 A 
BRANCH  16  18
ATOM     18  C   LIG    1        6.560   0.848  -0.579  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        7.199   0.670   0.738  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        6.780   1.709   1.681  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        8.656   0.690   0.592  0.00  0.00    +0.104 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  N   LIG    1       -3.302  -0.686  -0.196  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -3.542  -1.611  -0.545  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.828  -0.510   1.157  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.324  -0.660   1.122  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.148   0.262   0.481  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.796   1.468  -0.307  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.183   2.102  -0.417  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.188   1.077  -0.238  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.526   0.092   0.447  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.149  -0.989   1.036  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.346  -1.922   1.692  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.955  -1.752   1.730  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.219  -2.679   2.360  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6