REMARK  Name = BDB051889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.310   0.077  -0.069  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.642   0.350  -1.037  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        0.304   0.454  -1.983  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.069  -0.163   1.108  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.294  -1.396   1.839  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.032  -1.000   1.399  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -2.858  -0.408   0.121  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.696   0.072  -0.568  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -2.155   0.546  -1.779  0.00  0.00    +0.108 A 
ATOM     10  N   LIG    1       -3.533   0.377  -1.891  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1       -4.231   0.786  -3.053  0.00  0.00    +0.229 C 
ATOM     12  O   LIG    1       -3.595   1.279  -3.981  0.00  0.00    -0.273 OA
ATOM     13  C   LIG    1       -5.709   0.595  -3.090  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1       -3.980  -0.222  -0.707  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -5.255  -0.627  -0.260  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -5.388  -1.208   1.007  0.00  0.00    +0.048 A 
BRANCH   5  18
ATOM     17  C   LIG    1       -3.492  -2.161   3.941  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -4.582  -1.973   3.045  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1        2.042   0.452  -0.875  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        2.707   0.344   0.350  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        4.108   0.459   0.441  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.838   0.687  -0.733  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        4.186   0.800  -1.966  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1        2.793   0.683  -2.032  0.00  0.00    +0.038 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.799   0.345   1.726  0.00  0.00    +0.135 A 
ATOM     26  O   LIG    1        4.011   0.139   2.825  0.00  0.00    -0.463 OA
ATOM     27  C   LIG    1        4.827   0.063   3.906  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1        6.138   0.217   3.529  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        6.122   0.399   2.124  0.00  0.00    +0.050 A 
ENDBRANCH  21  25
BRANCH  23  30
ATOM     30  C   LIG    1        4.925   1.042  -3.227  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        4.427   1.148  -4.332  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        6.253   1.141  -3.046  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        6.605   1.299  -3.948  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH   2  19
TORSDOF 6