REMARK  Name = BDB018104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.005   0.026  -1.573  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.084   0.855  -0.661  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        0.737   1.163  -1.304  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.049  -0.061  -1.700  0.00  0.00    -0.300 N 
ATOM      5  C   LIG    1       -1.318  -0.175  -1.470  0.00  0.00    +0.241 C 
ATOM      6  O   LIG    1       -1.981   0.739  -0.970  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1        0.854  -1.115  -2.317  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        2.237  -0.625  -2.738  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        3.730  -1.041  -0.748  0.00  0.00    +0.166 C 
ATOM     10  O   LIG    1        3.361  -2.216  -0.761  0.00  0.00    -0.292 OA
BRANCH   9  14
ATOM     11  C   LIG    1        7.091  -0.061   1.780  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        6.506   0.935   0.999  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        5.414   0.639   0.170  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.895  -0.659   0.115  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        5.488  -1.656   0.899  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        6.576  -1.357   1.724  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        8.712   1.400   2.726  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        8.153   0.096   2.624  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   5  19
ATOM     19  C   LIG    1       -1.987  -1.513  -1.843  0.00  0.00    +0.256 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.378  -1.567  -1.549  0.00  0.00    -0.363 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.655  -1.698  -0.158  0.00  0.00    +0.234 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.788  -0.760   0.229  0.00  0.00    +0.136 A 
ATOM     23  N   LIG    1       -4.574   0.568  -0.037  0.00  0.00    -0.309 N 
ATOM     24  H   LIG    1       -3.703   0.857  -0.483  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -5.485   1.552   0.244  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -5.288   2.736  -0.004  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.734   1.091   0.875  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -6.865  -0.279   1.122  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -8.040  -0.738   1.721  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -9.061   0.154   2.066  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -8.914   1.519   1.813  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -7.747   1.993   1.216  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -5.865  -1.210   0.791  0.00  0.00    -0.231 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7