REMARK  Name = BDB028846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.055   0.276   0.167  0.00  0.00    -0.250 N 
ATOM      2  C   LIG    1       -1.951   1.350   0.128  0.00  0.00    +0.313 C 
ATOM      3  O   LIG    1       -1.699   2.491  -0.253  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1       -3.224   1.079   0.568  0.00  0.00    -0.240 N 
ATOM      5  H   LIG    1       -3.854   1.868   0.562  0.00  0.00    +0.159 HD
ATOM      6  C   LIG    1       -3.820  -0.149   0.613  0.00  0.00    +0.222 C 
ATOM      7  O   LIG    1       -5.036  -0.269   0.736  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.913  -1.318   0.395  0.00  0.00    +0.115 C 
ATOM      9  C   LIG    1       -1.508  -0.950   0.827  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        3.761  -1.028   0.634  0.00  0.00    +0.152 C 
ATOM     11  N   LIG    1        2.690  -0.275   0.001  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1        1.390  -0.395   0.505  0.00  0.00    +0.273 A 
ATOM     13  O   LIG    1        1.131  -1.099   1.482  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        0.298   0.421  -0.196  0.00  0.00    +0.103 A 
ATOM     15  C   LIG    1        0.708   1.269  -1.160  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        2.086   1.394  -1.557  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.019   0.628  -0.989  0.00  0.00    +0.089 A 
ENDBRANCH   1  14
TORSDOF 1