REMARK  Name = BDB063310
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.174  -1.260  -0.690  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.843  -1.841  -1.424  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.927  -2.576  -0.733  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -2.536  -3.462  -1.823  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -2.335  -2.633  -3.083  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.951  -2.042  -2.864  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1        0.118  -1.386   0.545  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        1.286  -0.355  -1.331  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1        2.034  -0.923  -2.558  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1        2.542   0.310  -3.298  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1        1.457   1.362  -3.109  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1        0.593   0.896  -1.935  0.00  0.00    +0.021 C 
BRANCH   8  16
ATOM     13  C   LIG    1        4.409   0.466   1.663  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        3.738   1.525   1.058  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.735   1.284   0.106  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        2.376  -0.022  -0.266  0.00  0.00    -0.032 A 
ATOM     17  C   LIG    1        3.071  -1.078   0.357  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        4.069  -0.836   1.306  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.780   1.878   2.994  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        5.399   0.566   2.599  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.977  -1.603  -0.121  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1       -2.461  -0.865   0.931  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -1.470  -1.027   1.128  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -4.130  -1.543  -0.542  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.095   0.117   1.714  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1       -2.295   0.746   2.684  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1       -2.889   1.731   3.480  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1       -4.220   2.104   3.350  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -4.402   3.110   4.325  0.00  0.00    +0.142 A 
ATOM     30  N   LIG    1       -3.290   3.363   5.020  0.00  0.00    -0.181 NA
ATOM     31  C   LIG    1       -5.014   1.471   2.381  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1       -2.392   2.512   4.489  0.00  0.00    -0.277 N 
ATOM     33  H   LIG    1       -1.450   2.513   4.863  0.00  0.00    +0.189 HD
ATOM     34  C   LIG    1       -4.436   0.478   1.572  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH   3  21
TORSDOF 5