REMARK  Name = BDB001025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.608  -0.442   1.006  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.661   0.161   0.300  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -2.954  -0.292   0.511  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -4.222   0.126  -0.060  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -5.203  -0.621   0.464  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -4.690  -1.631   1.454  0.00  0.00    +0.073 C 
ATOM      7  C   LIG    1       -6.582  -0.394   0.048  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1       -6.832   0.618  -0.903  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -8.135   0.880  -1.339  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -9.197   0.134  -0.829  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -8.958  -0.869   0.113  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.692   1.418  -1.451  0.00  0.00    +0.257 A 
ATOM     13  O   LIG    1       -5.862   2.306  -2.279  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -7.656  -1.133   0.551  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1       -4.434   1.104  -0.976  0.00  0.00    -0.321 N 
ATOM     16  H   LIG    1       -3.667   1.646  -1.347  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -3.214  -1.335   1.413  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -2.191  -1.941   2.117  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -0.883  -1.486   1.907  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  22
ATOM     20  O   LIG    1        2.027  -1.268   2.140  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        1.885  -0.371   1.317  0.00  0.00    +0.217 C 
ATOM     22  N   LIG    1        0.690   0.055   0.757  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1        0.755   0.809   0.084  0.00  0.00    +0.155 HD
BRANCH  21  24
ATOM     24  C   LIG    1        3.060   0.432   0.782  0.00  0.00    +0.097 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.395  -0.039   1.359  0.00  0.00    +0.024 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.578   0.816   0.887  0.00  0.00    +0.085 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.741   0.854  -0.574  0.00  0.00    -0.298 NA
ATOM     28  C   LIG    1        6.775   1.833  -0.983  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1        8.137   1.195  -1.296  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1        8.076   0.233  -2.358  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        6.792  -0.397  -2.473  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1        6.054  -0.485  -1.128  0.00  0.00    +0.112 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 5