REMARK  Name = BDB032699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.579  -0.542   0.427  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.546  -0.479  -0.494  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.498  -0.985  -1.598  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.503   0.368   0.095  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.963   0.828   1.327  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.171   1.658   2.099  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.911   2.018   1.603  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.454   1.560   0.344  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        1.268   0.711  -0.421  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.329   0.289   1.599  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.994  -1.504   0.173  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.771  -1.428   0.112  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.981  -1.944   1.107  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.479  -2.324   1.901  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.638  -1.716   1.307  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.121  -2.006   2.384  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.875  -1.133   0.106  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.767  -0.125  -0.620  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.056  -0.801  -1.060  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -0.916   1.945  -0.154  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.811   0.880   0.174  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.099   1.117  -0.188  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1       -3.841   0.028   0.168  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1       -3.297  -0.702   0.606  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1       -3.472   2.143  -0.734  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -5.220  -0.186  -0.003  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -6.079   0.743  -0.597  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1       -7.418   0.417  -0.701  0.00  0.00    +0.126 A 
ATOM     29  O   LIG    1       -8.367   1.230  -1.268  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -9.618   0.605  -0.897  0.00  0.00    +0.234 C 
ATOM     31  C   LIG    1       -9.365  -0.868  -0.571  0.00  0.00    +0.080 C 
ATOM     32  C   LIG    1       -7.923  -0.792  -0.251  0.00  0.00    -0.002 A 
ATOM     33  C   LIG    1       -7.094  -1.730   0.329  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -5.736  -1.417   0.457  0.00  0.00    +0.024 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 5