REMARK  Name = BDB032555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.878  -0.349  -0.387  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -1.128  -0.648   0.742  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.520  -0.932   1.856  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.283  -0.537   0.356  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.336  -0.090  -0.964  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        1.557   0.117  -1.582  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.718  -0.140  -0.845  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1        3.903   0.111  -1.489  0.00  0.00    -0.479 OA
ATOM      9  C   LIG    1        5.044   0.068  -0.617  0.00  0.00    +0.236 C 
ATOM     10  C   LIG    1        4.915  -1.058   0.406  0.00  0.00    +0.276 C 
ATOM     11  O   LIG    1        3.757  -0.895   1.232  0.00  0.00    -0.485 OA
ATOM     12  C   LIG    1        2.644  -0.615   0.481  0.00  0.00    +0.163 A 
ATOM     13  C   LIG    1        1.413  -0.803   1.105  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -1.045   0.124  -1.484  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  21
ATOM     15  O   LIG    1       -7.048   0.705   1.200  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.923   0.421   0.798  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.917   1.354   0.796  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -5.154   2.261   1.173  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.662   1.242   0.243  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.926   2.225   0.171  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -3.319  -0.121  -0.378  0.00  0.00    +0.163 C 
ATOM     22  C   LIG    1       -4.115  -1.236   0.299  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.601  -0.927   0.197  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
BRANCH   9  24
ATOM     24  C   LIG    1        5.273   1.444   0.023  0.00  0.00    +0.203 C 
BRANCH  24  25
ATOM     25  O   LIG    1        6.516   1.473   0.716  0.00  0.00    -0.391 OA
ATOM     26  H   LIG    1        6.584   2.349   1.135  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 3