REMARK  Name = BDB029496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.166  -0.966   0.490  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.222  -0.184   0.061  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -2.489  -0.206   0.771  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -3.429   0.668  -0.068  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -4.475   1.298   0.836  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -4.426   2.459   1.230  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -5.516   0.484   1.203  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -6.201   0.944   1.790  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -6.075  -0.458   0.380  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -7.259  -0.763   0.480  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -5.156  -1.103  -0.629  0.00  0.00    +0.097 C 
ATOM     12  C   LIG    1       -4.148  -0.105  -1.185  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.443   1.701  -0.648  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.176   0.897  -0.913  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1       -0.240  -1.716   1.459  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  21
ATOM     16  C   LIG    1        6.749   0.595   1.387  0.00  0.00    +0.109 C 
ATOM     17  C   LIG    1        5.840   0.186   0.252  0.00  0.00    +0.217 C 
ATOM     18  N   LIG    1        4.515  -0.012   0.598  0.00  0.00    -0.271 N 
ATOM     19  C   LIG    1        3.487  -0.418  -0.273  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        2.277  -0.505   0.416  0.00  0.00    -0.012 A 
ATOM     21  C   LIG    1        1.113  -0.877  -0.246  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        1.176  -1.203  -1.606  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        2.395  -1.116  -2.292  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        2.443  -0.140   1.856  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1        3.558  -0.716  -1.626  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        3.947   0.143   1.948  0.00  0.00    +0.118 C 
ATOM     27  O   LIG    1        6.304   0.061  -0.881  0.00  0.00    -0.276 OA
ENDBRANCH   1  21
TORSDOF 1