REMARK  Name = BDB023903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.670   5.345  -1.407  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.535   4.484  -0.913  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.842   3.187  -0.519  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.280   2.404   0.034  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.064   0.959   0.108  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.721  -0.173   0.426  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1       -0.003  -1.299   0.366  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.240  -0.903   0.005  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.323   0.450  -0.153  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.482   1.279  -0.565  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.210   2.746  -0.175  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.611   4.934  -0.879  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.147  -0.164   0.784  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        3.054  -1.259   0.600  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.309  -0.840   1.061  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        5.439  -1.674   1.021  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.292  -2.962   0.500  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.060  -3.405   0.033  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1        4.160   0.454   1.511  0.00  0.00    -0.349 N 
ATOM     20  C   LIG    1        5.219   1.262   2.072  0.00  0.00    +0.149 C 
ATOM     21  C   LIG    1        2.942  -2.567   0.076  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.864   0.869   1.354  0.00  0.00    +0.096 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1       -2.262  -1.933  -0.133  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -2.956  -1.938  -1.498  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -4.001  -3.042  -1.536  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1       -4.930  -2.878  -0.465  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -4.311  -3.002   0.815  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1       -3.276  -1.905   1.014  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2