REMARK  Name = BDB017346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.125  -1.039   1.133  0.00  0.00    +0.141 A 
ATOM      2  C   LIG    1       -1.201  -0.960   0.672  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1       -1.925  -2.156   0.755  0.00  0.00    +0.145 A 
ATOM      4  N   LIG    1       -3.254  -2.189   0.362  0.00  0.00    -0.307 N 
ATOM      5  H   LIG    1       -3.736  -3.070   0.450  0.00  0.00    +0.170 HD
ATOM      6  C   LIG    1       -3.950  -1.116  -0.090  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.199   0.170  -0.197  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -4.015   1.341  -0.684  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -3.332   2.686  -0.453  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1       -1.870   2.612  -0.860  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1       -1.126   1.540  -0.057  0.00  0.00    +0.036 C 
ATOM     12  O   LIG    1       -5.132  -1.202  -0.404  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -1.449  -3.334   1.216  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -0.179  -3.349   1.656  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1       -1.889   0.247   0.130  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        0.636  -2.238   1.648  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   1  17
ATOM     17  O   LIG    1        0.918   0.088   1.181  0.00  0.00    -0.455 OA
BRANCH  17  21
ATOM     18  C   LIG    1        4.751   0.026  -0.489  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        4.508   0.588   0.767  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        3.217   0.608   1.302  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1        2.168   0.010   0.606  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1        2.403  -0.585  -0.634  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        3.698  -0.599  -1.162  0.00  0.00    +0.026 A 
BRANCH  18  24
ATOM     24  N   LIG    1        6.062  -0.099  -0.963  0.00  0.00    -0.358 N 
ATOM     25  H   LIG    1        6.695   0.616  -0.618  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1        6.128  -0.218  -1.969  0.00  0.00    +0.142 HD
ENDBRANCH  18  24
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3