REMARK  Name = BDB063527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.209   3.517   0.036  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.098   3.863   0.206  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.293   4.252   1.119  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.001   3.742   0.956  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.663   2.855  -1.272  0.00  0.00    +0.177 C 
BRANCH   5   6
ATOM      6  N   LIG    1        1.590   1.742  -1.002  0.00  0.00    -0.304 NA
ATOM      7  H   LIG    1        2.273   2.071  -0.314  0.00  0.00    +0.123 HD
BRANCH   6   8
ATOM      8  C   LIG    1        0.888   0.592  -0.427  0.00  0.00    +0.116 C 
BRANCH   8  12
ATOM      9  C   LIG    1        3.700  -2.532   0.599  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1        3.262  -1.626   1.567  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        2.356  -0.615   1.240  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.864  -0.502  -0.066  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1        2.318  -1.403  -1.038  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.227  -2.414  -0.708  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1        5.061  -4.414   0.105  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        4.581  -3.473   1.056  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   8  12
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  17
ATOM     17  C   LIG    1       -2.217   3.595  -0.671  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.683   2.161  -0.607  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -3.057   1.495  -1.781  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -3.492   0.167  -1.736  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -3.572  -0.517  -0.523  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1       -3.222   0.144   0.653  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -2.789   1.475   0.612  0.00  0.00    +0.009 A 
BRANCH  21  24
ATOM     24  O   LIG    1       -4.003  -1.811  -0.623  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1       -4.065  -2.563   0.582  0.00  0.00    +0.277 C 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8