REMARK  Name = BDB030638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.949  -1.494  -0.658  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.746  -1.061  -0.113  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.481  -1.755  -0.458  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1       -1.563  -1.018   0.260  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1       -1.955   0.434  -0.037  0.00  0.00    +0.053 C 
ATOM      6  C   LIG    1       -1.478   1.108  -1.303  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.932   0.080   1.046  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1        0.546   0.039   0.823  0.00  0.00    +0.113 C 
ATOM      9  O   LIG    1        1.961  -2.446  -1.445  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.402  -0.307  -0.242  0.00  0.00    +0.039 A 
ATOM     11  N   LIG    1        4.653   0.490   0.576  0.00  0.00    -0.281 N 
ATOM     12  H   LIG    1        4.974   1.247   1.171  0.00  0.00    +0.189 HD
ATOM     13  N   LIG    1        3.342   0.208   0.563  0.00  0.00    -0.169 NA
ATOM     14  C   LIG    1        3.219  -0.818  -0.301  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        4.497  -1.168  -0.824  0.00  0.00    +0.057 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.274   1.183  -0.963  0.00  0.00    +0.014 C 
ATOM     17  C   LIG    1        6.886  -0.182  -0.394  0.00  0.00    +0.031 C 
ATOM     18  C   LIG    1        7.605  -0.446   0.929  0.00  0.00    +0.014 C 
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  19
ATOM     19  C   LIG    1       -3.298   0.897   0.459  0.00  0.00    +0.220 C 
ATOM     20  N   LIG    1       -4.350   0.183  -0.059  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -4.127  -0.538  -0.733  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.376   1.837   1.234  0.00  0.00    -0.275 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -5.766   0.444   0.229  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1       -6.059   0.289   1.730  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -6.170   1.849  -0.245  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1       -6.609  -0.591  -0.539  0.00  0.00    +0.031 C 
ENDBRANCH  20  23
ENDBRANCH   5  19
TORSDOF 4