REMARK  Name = BDB055492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.758  -0.435   0.628  0.00  0.00    +0.217 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.819   0.996   0.273  0.00  0.00    -0.277 NA
ATOM      3  C   LIG    1       -2.769   1.486  -0.444  0.00  0.00    +0.019 C 
ATOM      4  C   LIG    1       -2.759   2.981  -0.674  0.00  0.00    +0.061 C 
BRANCH   3   5
ATOM      5  C   LIG    1       -3.898   0.709  -1.091  0.00  0.00    +0.129 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -5.158   0.661  -0.258  0.00  0.00    +0.169 C 
ATOM      7  O   LIG    1       -5.301   1.351   0.749  0.00  0.00    -0.292 OA
BRANCH   6   8
ATOM      8  C   LIG    1       -6.265  -0.247  -0.685  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -6.258  -0.912  -1.918  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -7.319  -1.754  -2.267  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -8.389  -1.933  -1.392  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -8.405  -1.271  -0.166  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.348  -0.430   0.186  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   3   5
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -1.227  -0.643   2.052  0.00  0.00    +0.332 C 
ATOM     15  O   LIG    1       -1.029  -1.758   2.531  0.00  0.00    -0.248 OA
BRANCH  14  17
ATOM     16  C   LIG    1       -0.525   0.363   4.048  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1       -1.034   0.523   2.727  0.00  0.00    -0.466 OA
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH   1  18
ATOM     18  C   LIG    1       -0.891  -1.210  -0.378  0.00  0.00    +0.073 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.577  -0.842  -0.399  0.00  0.00    -0.045 A 
ATOM     20  C   LIG    1        1.022   0.291  -1.088  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        2.379   0.624  -1.099  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.312  -0.162  -0.421  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        2.875  -1.290   0.270  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        1.517  -1.627   0.281  0.00  0.00    +0.007 A 
BRANCH  22  25
ATOM     25  O   LIG    1        4.603   0.280  -0.513  0.00  0.00    -0.487 OA
BRANCH  25  26
ATOM     26  C   LIG    1        5.594  -0.461   0.197  0.00  0.00    +0.264 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.932   0.220   0.024  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1        8.040  -0.488  -0.463  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        9.279   0.141  -0.598  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.425   1.481  -0.246  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.332   2.195   0.243  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.093   1.568   0.379  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11