REMARK  Name = BDB014579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.354  -0.726   1.814  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.624  -1.600   2.173  0.00  0.00    +0.249 C 
ATOM      3  N   LIG    1        1.688  -1.046   1.316  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        2.067  -0.430   0.603  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        2.342  -2.001   3.303  0.00  0.00    -0.272 OA
BRANCH   2   7
ATOM      6  C   LIG    1        4.061  -2.918   0.608  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        4.072  -1.754   1.606  0.00  0.00    +0.163 C 
BRANCH   7   8
ATOM      8  C   LIG    1        4.589  -0.424   1.060  0.00  0.00    -0.008 A 
ATOM      9  C   LIG    1        4.816  -0.192  -0.307  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        5.247   1.059  -0.761  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.458   2.098   0.141  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.245   1.889   1.500  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.816   0.640   1.954  0.00  0.00    +0.007 A 
ENDBRANCH   7   8
BRANCH   7  14
ATOM     14  O   LIG    1        4.951  -2.147   2.670  0.00  0.00    -0.375 OA
ATOM     15  H   LIG    1        4.380  -2.570   3.342  0.00  0.00    +0.211 HD
ENDBRANCH   7  14
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -0.618  -0.458   0.654  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.701  -1.643  -0.151  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        0.187  -2.044  -0.153  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.015  -0.080   1.202  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.003   0.495   0.274  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.388  -0.429  -0.806  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.428   0.161  -1.740  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.589   1.554  -1.850  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.528   2.078  -2.748  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.285   1.226  -3.552  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.113  -0.154  -3.460  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.801   2.476  -0.953  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.187  -0.685  -2.562  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.597   1.784  -0.295  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 8