REMARK  Name = BDB057241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.669   1.013  -1.854  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.188   1.390  -0.664  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        1.512   0.925  -0.560  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.320   1.261   0.538  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.782   2.086   1.535  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.478   2.572   1.436  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.312   2.229   0.341  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  C   LIG    1        3.689   0.779   0.672  0.00  0.00    +0.089 A 
ATOM      9  N   LIG    1        4.451   0.989   1.821  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        5.599   0.427   1.554  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1        6.894   0.241   2.234  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        7.805  -0.180   1.052  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1        6.865  -0.745  -0.030  0.00  0.00    +0.123 C 
ATOM     14  N   LIG    1        5.605  -0.127   0.315  0.00  0.00    -0.334 N 
ATOM     15  C   LIG    1        4.418   0.078  -0.282  0.00  0.00    +0.115 A 
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     16  C   LIG    1       -3.064   1.022  -1.384  0.00  0.00    +0.247 C 
ATOM     17  N   LIG    1       -1.880   0.277  -1.466  0.00  0.00    -0.291 N 
ATOM     18  O   LIG    1       -3.159   2.207  -1.695  0.00  0.00    -0.270 OA
BRANCH  16  21
ATOM     19  C   LIG    1       -5.454  -0.672   0.981  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -4.298  -0.081   0.474  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1       -4.280   0.375  -0.851  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -5.415   0.288  -1.660  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -6.569  -0.303  -1.152  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.582  -0.785   0.160  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.511  -1.033   3.134  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -5.612  -1.175   2.243  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  16  21
BRANCH  17  27
ATOM     27  C   LIG    1       -1.866  -1.204  -1.514  0.00  0.00    +0.071 C 
ATOM     28  C   LIG    1       -2.006  -1.699  -2.957  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -0.650  -1.837  -0.837  0.00  0.00    +0.028 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 6