REMARK  Name = BDB007514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.819   1.283  -2.589  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.370   0.887  -1.567  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.833   1.073  -0.313  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -1.200   0.528   0.457  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.636   0.111  -1.639  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.586   0.152  -0.604  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -4.776  -0.591  -0.661  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -4.973  -1.373  -1.813  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.046  -1.405  -2.861  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.877  -0.658  -2.777  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.709  -0.554   0.362  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -6.700  -1.629   0.540  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -7.182  -1.708   2.007  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -7.751  -0.467   2.561  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -8.762  -0.464   2.424  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -7.190   0.724   1.898  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -5.761   0.552   1.333  0.00  0.00    +0.120 C 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        0.423   1.785  -0.096  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.659   1.000  -0.590  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.813   1.184  -2.006  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.915   1.165  -2.404  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.942   1.507   0.117  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.053   0.528   0.186  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.166   1.110   0.967  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.418   0.260   0.990  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.649  -0.706  -0.003  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.833  -1.457   0.016  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.794  -1.231   1.001  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.577  -0.261   1.976  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.595  -0.978  -1.043  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        7.397   0.484   1.970  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.546   0.140  -1.147  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7