REMARK  Name = BDB056923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.420   0.568   0.404  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -2.258   1.659   0.035  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1       -3.525   1.310   0.460  0.00  0.00    +0.164 A 
ATOM      4  N   LIG    1       -4.645   2.040   0.340  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1       -4.445   3.210  -0.283  0.00  0.00    +0.217 A 
ATOM      6  N   LIG    1       -3.261   3.656  -0.746  0.00  0.00    -0.222 NA
ATOM      7  N   LIG    1       -3.402   0.062   1.004  0.00  0.00    -0.245 N 
ATOM      8  C   LIG    1       -2.156   2.886  -0.604  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -2.135  -0.405   1.000  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        2.748  -0.012  -0.202  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        1.888  -1.047  -0.311  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        0.566  -0.824  -0.094  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        0.016   0.414   0.206  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        0.903   1.481   0.308  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        2.269   1.265   0.097  0.00  0.00    +0.044 A 
BRANCH  10  19
ATOM     16  N   LIG    1        6.866  -1.347  -0.088  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1        5.968  -1.622  -1.237  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1        4.463  -1.583  -0.892  0.00  0.00    +0.122 C 
ATOM     19  N   LIG    1        4.101  -0.230  -0.438  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1        5.090   0.440   0.425  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        6.174  -0.540   0.939  0.00  0.00    +0.103 C 
BRANCH  16  23
ATOM     22  C   LIG    1        9.238  -0.863   0.481  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        8.124  -0.753  -0.554  0.00  0.00    +0.081 C 
ENDBRANCH  16  23
ENDBRANCH  10  19
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  N   LIG    1       -5.584   3.991  -0.440  0.00  0.00    -0.316 N 
ATOM     25  H   LIG    1       -6.266   3.633   0.219  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -5.351   5.416  -0.382  0.00  0.00    +0.128 C 
ENDBRANCH   5  24
BRANCH   7  27
ATOM     27  C   LIG    1       -4.459  -0.722   1.607  0.00  0.00    +0.149 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.152  -1.738   0.695  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -4.254  -2.827   0.111  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.116  -3.466  -0.975  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -6.127  -2.398  -1.397  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -5.814  -1.164  -0.556  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 6