REMARK  Name = BDB060775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.875   0.600  -0.555  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -3.137   0.157  -0.472  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -4.140   1.015  -0.782  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.915   2.320  -1.162  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1       -2.592   2.684  -1.214  0.00  0.00    +0.135 A 
ATOM      6  N   LIG    1       -1.570   1.852  -0.921  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -5.472   0.437  -0.660  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -6.037  -0.295   0.432  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -7.340  -0.650   0.070  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -8.184  -1.371   0.931  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -7.687  -1.737   2.185  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.394  -1.398   2.569  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -7.548  -0.166  -1.203  0.00  0.00    -0.349 N 
ATOM     14  C   LIG    1       -8.773  -0.317  -1.957  0.00  0.00    +0.149 C 
ATOM     15  C   LIG    1       -5.561  -0.679   1.705  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -6.425   0.474  -1.660  0.00  0.00    +0.096 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  N   LIG    1       -0.903  -0.339  -0.230  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -1.355  -1.213  -0.002  0.00  0.00    +0.155 HD
BRANCH  17  22
ATOM     19  C   LIG    1        3.355  -0.407  -0.024  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        2.675   0.755  -0.403  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        1.273   0.799  -0.474  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        0.493  -0.319  -0.180  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        1.169  -1.488   0.188  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        2.569  -1.530   0.261  0.00  0.00    +0.025 A 
BRANCH  19  30
ATOM     25  C   LIG    1        9.813   0.620   0.088  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        8.920  -0.205   0.979  0.00  0.00    +0.213 C 
ATOM     27  N   LIG    1        7.570  -0.249   0.656  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1        6.728  -1.188   1.407  0.00  0.00    +0.126 C 
ATOM     29  C   LIG    1        5.241  -0.789   1.430  0.00  0.00    +0.124 C 
ATOM     30  N   LIG    1        4.754  -0.506   0.057  0.00  0.00    -0.327 N 
ATOM     31  C   LIG    1        5.556   0.537  -0.613  0.00  0.00    +0.124 C 
ATOM     32  C   LIG    1        7.041   0.130  -0.661  0.00  0.00    +0.126 C 
ATOM     33  O   LIG    1        9.390  -0.789   1.956  0.00  0.00    -0.276 OA
ENDBRANCH  19  30
ENDBRANCH  17  22
ENDBRANCH   1  17
BRANCH   4  34
ATOM     34  C   LIG    1       -4.934   3.267  -1.465  0.00  0.00    +0.103 C 
ATOM     35  N   LIG    1       -5.737   4.061  -1.733  0.00  0.00    -0.191 NA
ENDBRANCH   4  34
TORSDOF 5