REMARK  Name = BDB061329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.573  -0.489   1.326  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.379   0.096   0.894  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.140  -0.383   1.337  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.081  -1.452   2.230  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.272  -2.033   2.674  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        2.508  -1.554   2.231  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        4.448  -0.824   0.252  0.00  0.00    -0.149 NA
ATOM      8  N   LIG    1        3.799   0.039   0.883  0.00  0.00    -0.149 NA
BRANCH   7  12
ATOM      9  C   LIG    1        8.139   0.687  -1.171  0.00  0.00    -0.045 A 
ATOM     10  C   LIG    1        7.862   0.677   0.204  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        6.643   0.186   0.682  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        5.670  -0.296  -0.201  0.00  0.00    +0.086 A 
ATOM     13  C   LIG    1        5.950  -0.299  -1.570  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        7.168   0.191  -2.052  0.00  0.00    +0.006 A 
BRANCH   9  16
ATOM     15  C   LIG    1       10.642   0.389  -1.215  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        9.455   1.215  -1.716  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1        9.645   2.698  -1.390  0.00  0.00    +0.012 C 
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  O   LIG    1       -1.049  -2.024   2.741  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.320  -1.473   2.391  0.00  0.00    +0.233 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.841  -2.089   1.092  0.00  0.00    +0.076 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.193  -1.546   0.710  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1       -5.360  -2.120   1.220  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -6.609  -1.596   0.875  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -6.722  -0.493   0.022  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -5.559   0.080  -0.480  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.304  -0.440  -0.139  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -8.007  -0.111  -0.210  0.00  0.00    -0.475 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -8.399   0.987  -1.058  0.00  0.00    +0.200 C 
ATOM     29  C   LIG    1       -8.049   0.754  -2.530  0.00  0.00    +0.067 C 
ATOM     30  C   LIG    1       -7.958   2.345  -0.508  0.00  0.00    +0.067 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -9.946   0.982  -0.985  0.00  0.00    +0.348 C 
ATOM     32  O   LIG    1      -10.673   1.776  -1.568  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1      -10.450  -0.004  -0.200  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1       -9.704  -0.526   0.172  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 11