REMARK  Name = BDB028494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.306  -0.828   1.186  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.305  -0.644  -0.027  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.451  -0.654  -0.803  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.731  -0.974  -0.170  0.00  0.00    +0.117 C 
ATOM      5  C   LIG    1       -4.743   0.176  -0.340  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -4.761   0.736  -1.783  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -3.918  -0.100  -2.745  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.497  -0.271  -2.214  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.148  -0.379  -0.720  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.131  -0.776  -1.647  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.122  -0.247   0.139  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -6.891  -1.185  -0.568  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -8.151  -1.568  -0.103  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -8.656  -1.023   1.075  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -7.902  -0.095   1.789  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.643   0.289   1.326  0.00  0.00    +0.004 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        1.141  -0.400  -0.029  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.337   0.833   0.868  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.231   2.029   0.080  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.403   1.920  -0.424  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.671   0.798   1.649  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.878   0.412   0.881  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.992   0.157   1.821  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.320  -0.102   1.143  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.555   0.333  -0.171  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.804   0.113  -0.767  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.825  -0.512  -0.051  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.603  -0.927   1.260  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.441   0.974  -0.958  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.358  -0.721   1.856  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.284   1.460  -0.072  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6