REMARK  Name = BDB054353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.338   0.522  -2.034  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.470  -0.066  -0.460  0.00  0.00    +0.228 A 
ATOM      3  O   LIG    1        3.249  -1.367  -0.826  0.00  0.00    -0.440 OA
ATOM      4  C   LIG    1        2.041  -1.348  -1.460  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        1.529  -2.632  -1.966  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        1.590  -0.046  -1.469  0.00  0.00    +0.083 A 
ATOM      7  N   LIG    1        2.509   0.760  -0.837  0.00  0.00    -0.214 NA
BRANCH   2  13
ATOM      8  C   LIG    1        8.437   1.491   2.099  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        7.139   1.072   1.476  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1        6.721  -0.262   1.533  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        5.517  -0.687   0.933  0.00  0.00    -0.038 A 
ATOM     12  C   LIG    1        5.138  -2.138   1.075  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        4.728   0.248   0.227  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        5.165   1.587   0.177  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        6.355   1.994   0.785  0.00  0.00    +0.004 A 
ENDBRANCH   2  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.760   0.645  -0.975  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.049   1.210  -1.575  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.135   1.508  -0.534  0.00  0.00    +0.008 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.572   0.328   0.357  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.154  -0.853  -0.418  0.00  0.00    +0.169 C 
ATOM     21  O   LIG    1       -5.504  -0.581  -0.770  0.00  0.00    -0.340 OA
ATOM     22  C   LIG    1       -6.346  -0.432   0.383  0.00  0.00    +0.267 C 
ATOM     23  C   LIG    1       -7.092  -1.754   0.576  0.00  0.00    +0.087 C 
ATOM     24  O   LIG    1       -5.601  -0.184   1.583  0.00  0.00    -0.340 OA
ATOM     25  C   LIG    1       -4.613   0.819   1.372  0.00  0.00    +0.169 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -7.410   0.680   0.121  0.00  0.00    +0.365 C 
ATOM     27  O   LIG    1       -7.565   1.335  -0.900  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -8.213   0.925   1.186  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -8.794   1.649   0.876  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8