REMARK  Name = BDB013230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.148  -0.369  -0.169  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.193  -0.760  -1.145  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.129  -0.538  -0.846  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.822  -0.928  -1.953  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.005  -1.421  -2.847  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.558   0.013   0.365  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.322   0.379   1.258  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.281  -1.315  -2.336  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.657   0.166   0.971  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.871   0.226  -0.479  0.00  0.00    +0.218 A 
ATOM     11  C   LIG    1        4.509   0.535  -0.416  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        4.054   1.968  -0.420  0.00  0.00    +0.050 C 
ATOM     13  C   LIG    1        3.610  -0.544  -0.310  0.00  0.00    -0.003 A 
ATOM     14  C   LIG    1        4.109  -1.851  -0.339  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        5.474  -2.040  -0.432  0.00  0.00    +0.115 A 
ATOM     16  N   LIG    1        6.364  -1.033  -0.486  0.00  0.00    -0.221 NA
BRANCH  10  18
ATOM     17  C   LIG    1        8.119   0.881  -0.632  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        6.758   1.285  -0.522  0.00  0.00    -0.479 OA
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  19
ATOM     19  N   LIG    1       -1.898   0.200   0.626  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.957   0.796   1.455  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.748  -0.966   0.868  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.132  -0.523   1.247  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.953   0.205   0.389  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.686   0.745  -0.967  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.108   1.142  -1.363  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.895   1.332  -0.166  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.224   0.607   0.783  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.738   0.311   2.030  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.941  -0.430   2.901  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.660  -0.839   2.506  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.923  -1.546   3.375  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5