REMARK  Name = BDB025166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.685  -0.093  -0.038  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.516  -0.859  -0.188  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.686  -2.221  -0.740  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.358  -3.159   0.277  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.389  -2.893  -1.218  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.469  -1.882  -1.867  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.150  -0.842  -0.832  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.850  -0.320  -0.671  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.292  -0.629  -1.358  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.260   0.100  -0.834  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.760   0.924   0.163  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.592   0.644   0.294  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.597   1.129   1.137  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.888   0.612   0.966  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.188  -0.346  -0.012  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.817  -0.547  -0.189  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.448   1.968   0.919  0.00  0.00    +0.093 C 
ATOM     18  C   LIG    1       -2.624   1.473   1.772  0.00  0.00    +0.053 C 
ATOM     19  C   LIG    1       -3.679   2.558   1.942  0.00  0.00    +0.162 C 
ATOM     20  O   LIG    1       -3.032   3.814   2.115  0.00  0.00    -0.380 OA
ATOM     21  C   LIG    1       -2.413   4.294   0.922  0.00  0.00    +0.162 C 
ATOM     22  C   LIG    1       -1.809   3.186   0.062  0.00  0.00    +0.053 C 
ENDBRANCH  11  17
BRANCH   1  24
ATOM     23  C   LIG    1        6.653   2.019   0.314  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        5.468   1.228   0.222  0.00  0.00    -0.453 OA
ENDBRANCH   1  24
BRANCH  10  25
ATOM     25  C   LIG    1       -2.688   0.026  -1.308  0.00  0.00    +0.110 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.506  -1.117  -0.727  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1       -4.882  -0.980  -0.443  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1       -5.605  -2.032   0.141  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -4.985  -3.251   0.401  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.643  -3.423   0.078  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.914  -2.372  -0.484  0.00  0.00    +0.005 A 
BRANCH  27  32
ATOM     32  C   LIG    1       -5.647   0.256  -0.709  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -6.420   0.796   0.058  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -5.449   0.708  -1.959  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -6.075   1.456  -2.051  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6