REMARK  Name = BDB057850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.055   1.942   2.623  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -0.894   0.999   1.605  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1       -1.929   0.286   1.118  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -3.143   0.507   1.654  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -3.394   1.370   2.655  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -2.338   2.074   3.110  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.273  -0.299   1.159  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.598  -0.454  -0.215  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.670  -1.303  -0.571  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.432  -1.960   0.394  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.141  -1.786   1.738  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.076  -0.967   2.113  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.832   0.270  -1.322  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -4.758   1.044  -2.270  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -2.955  -0.709  -2.106  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -0.160   3.680   3.970  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        0.055   2.610   3.059  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.380   0.855   1.016  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1        1.086   0.901   1.747  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.530  -0.309   0.159  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.974  -0.416  -0.278  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.522   0.536  -1.147  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.858   0.449  -1.550  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.685  -0.591  -1.095  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        4.127  -1.539  -0.222  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        2.791  -1.453   0.185  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.090  -0.683  -1.516  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.967   0.398  -1.405  0.00  0.00    +0.119 A 
ATOM     29  N   LIG    1        8.271   0.382  -1.776  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        8.738  -0.775  -2.288  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        7.963  -1.911  -2.445  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.627  -1.860  -2.053  0.00  0.00    +0.011 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7