REMARK  Name = BDB032789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.337  -1.977  -1.287  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.438  -2.058  -0.423  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.515  -1.228  -0.675  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.778  -1.105   0.061  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.558  -0.189  -0.630  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.819   0.445  -1.713  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        4.039  -1.701   1.088  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.539  -0.321  -1.731  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.458  -0.219  -2.586  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.355  -1.051  -2.357  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.796   0.388  -0.117  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.514   1.417   0.989  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.497   2.109   1.030  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        6.530   1.624   1.893  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.356   2.325   2.600  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.785   1.068   1.893  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.642   1.443   2.688  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        8.077   0.050   0.816  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.807  -0.653   0.363  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.881  -2.833  -1.046  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.717  -2.200  -0.070  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -3.408  -0.913   0.502  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1       -2.984  -1.138   1.392  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -2.753  -1.471  -0.559  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -3.017  -1.358  -1.746  0.00  0.00    -0.226 OA
BRANCH  22  32
ATOM     26  C   LIG    1       -6.581   1.679   3.193  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -6.125   1.214   1.834  0.00  0.00    -0.031 A 
ATOM     28  C   LIG    1       -6.799   1.601   0.657  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1       -6.342   1.146  -0.597  0.00  0.00    -0.031 A 
ATOM     30  C   LIG    1       -7.036   1.536  -1.877  0.00  0.00    +0.045 C 
ATOM     31  C   LIG    1       -5.213   0.308  -0.660  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -4.538  -0.080   0.498  0.00  0.00    +0.037 A 
ATOM     33  C   LIG    1       -5.001   0.377   1.737  0.00  0.00    +0.028 A 
BRANCH  28  34
ATOM     34  C   LIG    1       -7.954   2.458   0.737  0.00  0.00    +0.100 C 
ATOM     35  N   LIG    1       -8.884   3.149   0.804  0.00  0.00    -0.191 NA
ENDBRANCH  28  34
ENDBRANCH  22  32
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6