REMARK  Name = BDB021078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.094   0.542  -0.922  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        1.265   0.377  -0.527  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.322   1.035  -1.194  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.655   0.881  -0.763  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.968   0.056   0.319  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        2.938  -0.606   0.982  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        2.060   1.943  -2.366  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.704   1.656  -2.978  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        1.612  -0.443   0.564  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.344   1.629  -1.878  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -6.316   2.822   1.413  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.918   2.807   0.850  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.375   1.569   0.522  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -3.052   1.598  -0.108  0.00  0.00    +0.164 C 
ATOM     15  C   LIG    1       -2.423   0.254  -0.143  0.00  0.00    +0.078 A 
ATOM     16  N   LIG    1       -3.089  -0.883   0.241  0.00  0.00    -0.327 N 
ATOM     17  C   LIG    1       -2.237  -1.941   0.138  0.00  0.00    +0.115 A 
ATOM     18  N   LIG    1       -1.061  -1.549  -0.291  0.00  0.00    -0.217 NA
ATOM     19  C   LIG    1       -4.445  -0.893   0.737  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -1.155  -0.190  -0.474  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1       -5.183   0.366   0.298  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -4.299   3.861   0.703  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -2.565  -3.417   0.498  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -1.922  -4.518  -0.304  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.388  -4.238  -0.461  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   5  26
ATOM     26  C   LIG    1        5.341  -0.097   0.746  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        6.022  -1.293   0.798  0.00  0.00    +0.142 A 
ATOM     28  C   LIG    1        5.684  -2.696   0.491  0.00  0.00    +0.090 C 
ATOM     29  O   LIG    1        7.292  -1.065   1.230  0.00  0.00    -0.359 OA
ATOM     30  N   LIG    1        7.471   0.287   1.459  0.00  0.00    -0.083 NA
ATOM     31  C   LIG    1        6.297   0.863   1.168  0.00  0.00    +0.088 A 
ATOM     32  C   LIG    1        6.134   2.328   1.315  0.00  0.00    +0.070 C 
ENDBRANCH   5  26
TORSDOF 3