REMARK  Name = BDB014543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.329  -0.063   2.694  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -1.564   0.302   1.545  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -1.129  -0.378   0.430  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -1.507  -0.105  -0.473  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.516  -1.692   0.506  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        0.381  -1.973  -0.704  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.464  -1.930  -1.872  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        0.094  -2.119  -2.648  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        1.559  -0.984  -0.899  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        2.648  -0.894   0.075  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        3.232  -2.186   0.448  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        4.390  -2.062   1.417  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.564  -0.897   2.189  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        5.622  -0.819   3.103  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.492  -1.897   3.267  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.313  -3.058   2.518  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.652   0.287   1.983  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        5.265  -3.143   1.601  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        2.349  -0.090   1.261  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -2.298   1.602   1.231  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.156   1.401   0.108  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.629   2.531  -0.517  0.00  0.00    +0.132 A 
ATOM     23  C   LIG    1       -4.094   2.392  -1.843  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -4.561   3.536  -2.518  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -4.590   4.782  -1.895  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.154   4.905  -0.581  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.681   3.786   0.108  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.109   1.115  -2.572  0.00  0.00    +0.142 A 
ATOM     29  N   LIG    1       -4.082  -0.122  -1.967  0.00  0.00    -0.344 N 
ATOM     30  H   LIG    1       -4.038  -0.266  -0.968  0.00  0.00    +0.167 HD
ATOM     31  C   LIG    1       -4.117  -1.083  -2.937  0.00  0.00    +0.104 A 
ATOM     32  C   LIG    1       -4.196  -0.387  -4.117  0.00  0.00    +0.130 A 
ATOM     33  N   LIG    1       -4.198   0.964  -3.883  0.00  0.00    -0.236 NA
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9