REMARK  Name = BDB018126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.370   1.232  -0.344  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.149   1.985  -0.851  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.068   1.761  -0.218  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -1.268   0.808   0.875  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -2.583   1.042   1.613  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -3.792   0.978   0.664  0.00  0.00    +0.063 C 
ATOM      7  C   LIG    1       -3.472   1.540  -0.730  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -2.252   2.453  -0.724  0.00  0.00    +0.108 C 
ATOM      9  O   LIG    1        0.271   2.785  -1.780  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1       -4.304  -0.459   0.531  0.00  0.00    +0.169 C 
ATOM     11  O   LIG    1       -3.555  -1.416   0.733  0.00  0.00    -0.292 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -5.692  -0.673   0.141  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -6.299  -1.902  -0.044  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1       -7.588  -1.650  -0.403  0.00  0.00    -0.274 N 
ATOM     15  C   LIG    1       -8.614  -2.619  -0.705  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1       -7.875  -0.337  -0.464  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -6.724   0.252  -0.135  0.00  0.00    +0.145 A 
ENDBRANCH  10  12
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1        2.845   3.190   0.293  0.00  0.00    +0.008 C 
ATOM     19  C   LIG    1        2.067   1.974   0.809  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.955   1.025   1.646  0.00  0.00    +0.057 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.069   0.325   0.903  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        5.239   1.026   0.716  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1        5.324   1.976   1.055  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        6.363   0.538   0.083  0.00  0.00    +0.257 A 
ATOM     25  O   LIG    1        7.375   1.217  -0.048  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1        6.279  -0.853  -0.425  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        5.094  -1.573  -0.225  0.00  0.00    -0.011 A 
ATOM     28  C   LIG    1        5.007  -2.886  -0.699  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        6.092  -3.466  -1.363  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.269  -2.740  -1.559  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.366  -1.430  -1.089  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        3.970  -0.944   0.474  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6