REMARK  Name = BDB019687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.896   1.579  -0.633  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.928   2.481  -0.366  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -3.259   2.094  -0.549  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -3.544   0.800  -1.016  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.518  -0.118  -1.297  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.188   0.296  -1.116  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.347   3.050  -0.277  0.00  0.00    -0.002 A 
ATOM      8  C   LIG    1       -5.173   2.817   0.760  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -6.201   3.681   1.050  0.00  0.00    -0.329 N 
ATOM     10  H   LIG    1       -6.815   3.500   1.835  0.00  0.00    +0.168 HD
ATOM     11  C   LIG    1       -6.470   4.825   0.339  0.00  0.00    +0.249 A 
ATOM     12  O   LIG    1       -7.394   5.579   0.615  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -5.562   5.100  -0.802  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -4.564   4.247  -1.076  0.00  0.00    +0.015 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  N   LIG    1        1.376   1.044   0.012  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        0.996   0.200   0.421  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        0.509   2.017  -0.433  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        0.830   3.180  -0.639  0.00  0.00    -0.270 OA
BRANCH  15  19
ATOM     19  C   LIG    1        2.752   1.368   0.313  0.00  0.00    +0.140 C 
BRANCH  19  24
ATOM     20  C   LIG    1        5.023  -0.987   2.273  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1        5.007  -2.120   1.461  0.00  0.00    +0.091 A 
ATOM     22  C   LIG    1        4.259  -2.139   0.280  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1        3.539  -1.005  -0.101  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        3.530   0.141   0.712  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        4.282   0.136   1.895  0.00  0.00    +0.051 A 
BRANCH  20  27
ATOM     26  C   LIG    1        6.504  -1.952   3.862  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.708  -0.848   3.450  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
BRANCH  22  28
ATOM     28  O   LIG    1        4.323  -3.314  -0.419  0.00  0.00    -0.495 OA
ATOM     29  C   LIG    1        3.362  -3.492  -1.455  0.00  0.00    +0.277 C 
ENDBRANCH  22  28
ENDBRANCH  19  24
ENDBRANCH  15  19
ENDBRANCH   1  17
BRANCH   5  30
ATOM     30  C   LIG    1       -2.879  -1.474  -1.865  0.00  0.00    +0.157 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -1.929  -2.518  -1.514  0.00  0.00    -0.332 N 
ATOM     32  C   LIG    1       -1.015  -3.080  -2.359  0.00  0.00    +0.199 A 
ATOM     33  N   LIG    1       -0.279  -3.975  -1.740  0.00  0.00    -0.244 NA
ATOM     34  C   LIG    1       -0.761  -4.017  -0.457  0.00  0.00    +0.130 A 
ATOM     35  C   LIG    1       -1.793  -3.122  -0.294  0.00  0.00    +0.107 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 8