REMARK  Name = BDB007741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.392   0.489   1.277  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.943   1.716  -0.707  0.00  0.00    -0.269 OA
ATOM      3  C   LIG    1        2.502   0.916   0.038  0.00  0.00    +0.260 C 
ATOM      4  N   LIG    1        1.814   0.260   1.036  0.00  0.00    -0.308 N 
ATOM      5  H   LIG    1        2.210  -0.595   1.397  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.893   0.547  -0.089  0.00  0.00    +0.103 A 
ATOM      7  N   LIG    1        4.680  -0.002   0.899  0.00  0.00    -0.351 N 
ATOM      8  H   LIG    1        4.378  -0.180   1.845  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        5.958  -0.230   0.445  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        6.007   0.214  -0.874  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        7.218   0.105  -1.584  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        8.336  -0.446  -0.947  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        8.259  -0.881   0.374  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        7.067  -0.780   1.099  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.715   0.713  -1.192  0.00  0.00    +0.040 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.515  -0.084   0.163  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.598   0.855  -0.919  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.298   1.230  -1.061  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.940  -0.351   0.714  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.739  -1.316  -0.076  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.029  -1.607   0.582  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.088  -0.535   0.426  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.031   0.388  -0.634  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.041   1.349  -0.776  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.114   1.379   0.113  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.185   0.454   1.152  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.854   0.387  -1.581  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.179  -0.501   1.307  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.003  -0.886  -1.461  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6