REMARK  Name = BDB025149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.514  -1.312  -1.360  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.175  -1.731  -1.450  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        3.887  -3.088  -1.962  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        3.931  -4.122  -0.830  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        2.588  -3.135  -2.759  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.423  -2.690  -1.906  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.722  -1.391  -1.214  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.642  -0.608  -0.740  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.701  -0.867  -0.823  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -1.319   0.144  -0.241  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -0.393   1.072   0.210  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.867   0.594  -0.088  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        2.156   1.069   0.142  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.225   0.283  -0.317  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.050  -0.936  -0.995  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.919  -0.201  -1.036  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -0.707   2.336   0.874  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -0.258   3.560   0.066  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -0.751   4.870   0.691  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -0.715   4.886   2.230  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1        0.177   3.785   2.804  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -0.221   2.380   2.335  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.112   4.772   2.823  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -3.030   4.146   2.314  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -2.243   5.399   4.013  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -1.436   5.849   4.328  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.771  -1.938  -1.629  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.392  -2.308  -1.696  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.802   0.312  -0.072  0.00  0.00    +0.234 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -3.456  -0.842  -0.601  0.00  0.00    -0.369 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -4.872  -0.805  -0.428  0.00  0.00    +0.119 C 
ATOM     32  C   LIG    1       -5.495  -1.855  -1.352  0.00  0.00    +0.031 C 
ATOM     33  C   LIG    1       -5.687  -3.075  -0.464  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -6.134  -2.464   0.851  0.00  0.00    +0.003 C 
ATOM     35  C   LIG    1       -5.257  -1.225   0.999  0.00  0.00    +0.031 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7