REMARK  Name = BDB056893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.024   4.810  -3.799  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.880   3.887  -2.970  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.237   2.869  -2.277  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.122   1.932  -1.547  0.00  0.00    +0.147 C 
ATOM      5  C   LIG    1       -0.332   1.070  -0.621  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.756   0.059   0.292  0.00  0.00    +0.116 A 
ATOM      7  N   LIG    1        0.313  -0.457   0.932  0.00  0.00    -0.169 NA
ATOM      8  N   LIG    1        1.380   0.201   0.440  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        1.042   1.096  -0.524  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.921   1.970  -1.332  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        1.140   2.421  -2.584  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.099   4.060  -2.922  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.145  -0.371   0.559  0.00  0.00    +0.099 A 
ATOM     14  C   LIG    1       -2.508  -1.698   0.919  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -3.884  -1.932   1.160  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -4.333  -3.214   1.524  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -3.445  -4.280   1.646  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.094  -4.080   1.401  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.801  -0.887   1.030  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -4.344   0.360   0.656  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1       -1.633  -2.812   1.040  0.00  0.00    +0.010 A 
ATOM     22  N   LIG    1       -3.052   0.638   0.415  0.00  0.00    -0.253 NA
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1        2.715  -0.116   0.942  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        2.776  -0.157   2.478  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        2.731  -1.595   2.969  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1        3.846  -2.357   2.499  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        4.306  -2.031   1.189  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        3.231  -1.416   0.310  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2