REMARK  Name = BDB002329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.080  -0.215  -0.264  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.014   0.127  -1.071  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        0.126   1.118  -1.234  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -1.153  -1.295   0.324  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.158   0.883  -0.115  0.00  0.00    +0.161 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -4.373  -0.139  -0.511  0.00  0.00    +0.230 C 
ATOM      7  N   LIG    1       -3.376   0.241   0.370  0.00  0.00    -0.302 N 
ATOM      8  H   LIG    1       -3.254  -0.357   1.179  0.00  0.00    +0.150 HD
ATOM      9  O   LIG    1       -4.387   0.222  -1.686  0.00  0.00    -0.274 OA
BRANCH   6  10
ATOM     10  C   LIG    1       -5.452  -1.055   0.118  0.00  0.00    +0.137 C 
ATOM     11  C   LIG    1       -6.144  -1.859  -0.985  0.00  0.00    +0.034 C 
BRANCH  10  13
ATOM     12  C   LIG    1       -6.016   0.274   2.105  0.00  0.00    +0.101 C 
ATOM     13  N   LIG    1       -6.481  -0.271   0.839  0.00  0.00    -0.309 NA
ATOM     14  H   LIG    1       -7.287  -0.870   1.015  0.00  0.00    +0.122 HD
ENDBRANCH  10  13
ENDBRANCH   6  10
ENDBRANCH   5   7
BRANCH   5  15
ATOM     15  C   LIG    1       -1.679   2.020   0.815  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -2.660   3.196   0.785  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -1.451   1.569   2.261  0.00  0.00    +0.009 C 
ENDBRANCH   5  15
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        1.196  -0.691  -1.075  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.147  -0.146   0.011  0.00  0.00    +0.250 C 
ATOM     20  N   LIG    1        3.168  -1.021   0.355  0.00  0.00    -0.235 N 
ATOM     21  H   LIG    1        3.003  -2.022   0.297  0.00  0.00    +0.173 HD
ATOM     22  O   LIG    1        2.039   0.984   0.494  0.00  0.00    -0.272 OA
BRANCH  20  23
ATOM     23  N   LIG    1        3.975  -0.631   1.444  0.00  0.00    -0.264 N 
ATOM     24  H   LIG    1        3.655   0.271   1.823  0.00  0.00    +0.170 HD
BRANCH  23  25
ATOM     25  C   LIG    1        5.357  -0.560   1.126  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        6.179   0.288   1.885  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        7.558   0.343   1.664  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        8.141  -0.471   0.697  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.348  -1.348  -0.038  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.968  -1.402   0.186  0.00  0.00    +0.024 A 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  18  19
BRANCH  18  31
ATOM     31  C   LIG    1        1.885  -0.730  -2.458  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1        1.007  -1.456  -3.482  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1        2.267   0.656  -2.988  0.00  0.00    +0.009 C 
ENDBRANCH  18  31
ENDBRANCH   2  18
TORSDOF 10