REMARK  Name = BDB041958
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.089  -1.097   0.730  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -2.877   0.403   0.538  0.00  0.00    +0.110 C 
ATOM      3  N   LIG    1       -1.680   0.727  -0.238  0.00  0.00    -0.260 N 
ATOM      4  C   LIG    1       -2.002   1.253  -1.478  0.00  0.00    +0.310 C 
ATOM      5  O   LIG    1       -1.230   1.530  -2.380  0.00  0.00    -0.252 OA
ATOM      6  N   LIG    1       -3.346   1.413  -1.539  0.00  0.00    -0.238 N 
ATOM      7  H   LIG    1       -3.830   1.772  -2.344  0.00  0.00    +0.159 HD
ATOM      8  C   LIG    1       -3.952   0.942  -0.419  0.00  0.00    +0.244 C 
ATOM      9  O   LIG    1       -5.159   0.944  -0.225  0.00  0.00    -0.273 OA
ATOM     10  C   LIG    1       -2.928   1.170   1.856  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1       -0.340   0.296   0.136  0.00  0.00    +0.166 C 
ATOM     12  C   LIG    1        0.182  -0.891  -0.678  0.00  0.00    +0.236 C 
ATOM     13  O   LIG    1       -0.452  -1.893  -0.973  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1        1.535  -0.674  -0.913  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1        2.022   0.538  -0.294  0.00  0.00    +0.078 C 
ATOM     16  C   LIG    1        2.861   0.172   0.928  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1        3.997  -0.802   0.562  0.00  0.00    +0.003 C 
ATOM     18  C   LIG    1        3.887  -1.387  -0.855  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1        2.449  -1.762  -1.206  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1        0.765   1.347   0.007  0.00  0.00    +0.054 C 
ENDBRANCH   3  11
TORSDOF 1