REMARK  Name = BDB056892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.969   5.295   0.528  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.671   4.533   0.589  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.746   3.148   0.684  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.455   2.446   0.826  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.622   0.992   0.559  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.339  -0.043   0.433  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.258  -1.221   0.190  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.576  -0.943   0.132  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.839   0.371   0.376  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.147   1.065   0.410  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.965   2.428   1.115  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.598   5.137   0.547  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.792   0.064   0.545  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.654  -0.204  -0.555  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.055  -0.049  -0.402  0.00  0.00    -0.009 A 
ATOM     16  C   LIG    1        4.904  -0.295  -1.512  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.316  -0.703  -2.708  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1        2.993  -0.858  -2.896  0.00  0.00    -0.262 NA
ATOM     19  C   LIG    1        4.546   0.349   0.862  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        3.695   0.600   1.938  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.205  -0.612  -1.823  0.00  0.00    +0.119 A 
ATOM     22  C   LIG    1        2.323   0.461   1.780  0.00  0.00    +0.011 A 
BRANCH  16  23
ATOM     23  C   LIG    1        6.396  -0.124  -1.472  0.00  0.00    +0.193 C 
BRANCH  23  24
ATOM     24  O   LIG    1        6.980  -1.143  -0.675  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1        7.944  -1.028  -0.728  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  16  23
ENDBRANCH   6  13
BRANCH   8  26
ATOM     26  C   LIG    1       -2.526  -2.007  -0.164  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -2.180  -2.767  -1.449  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -3.187  -3.884  -1.675  0.00  0.00    +0.162 C 
ATOM     29  O   LIG    1       -3.246  -4.752  -0.545  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -3.651  -4.083   0.648  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1       -2.673  -2.977   1.011  0.00  0.00    +0.055 C 
ENDBRANCH   8  26
TORSDOF 4