REMARK  Name = BDB060725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.981  -1.419   0.833  0.00  0.00    +0.137 A 
ATOM      2  C   LIG    1        0.701  -2.807   0.707  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -0.663  -3.071   0.504  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -1.105  -4.381   0.398  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.237  -5.465   0.475  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.118  -5.239   0.644  0.00  0.00    +0.004 A 
ATOM      7  N   LIG    1       -1.599  -2.126   0.398  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1       -1.222  -0.855   0.494  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1        1.613  -3.928   0.745  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1        3.107  -3.777   0.878  0.00  0.00    +0.044 C 
ATOM     11  N   LIG    1        0.032  -0.470   0.696  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.295  -0.987   1.127  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1        2.649  -1.480   1.936  0.00  0.00    +0.155 HD
BRANCH  12  18
ATOM     14  C   LIG    1        3.304   2.301   0.307  0.00  0.00    +0.038 A 
ATOM     15  N   LIG    1        4.135   1.883   1.308  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        4.895   2.394   1.744  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1        3.888   0.633   1.730  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1        2.839   0.241   1.002  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1        2.450   1.244   0.084  0.00  0.00    +0.068 A 
BRANCH  14  21
ATOM     20  C   LIG    1        4.368   3.641  -1.499  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1        3.408   3.644  -0.320  0.00  0.00    +0.051 C 
ENDBRANCH  14  21
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   8  22
ATOM     22  N   LIG    1       -2.153   0.166   0.384  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1       -1.625   1.015   0.214  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.208  -0.103  -0.568  0.00  0.00    +0.139 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.035   1.151  -0.754  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.964   1.889  -1.945  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -4.724   3.050  -2.103  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.555   3.482  -1.071  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -6.489   4.913  -1.269  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -5.632   2.764   0.120  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -4.873   1.603   0.279  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   8  22
TORSDOF 6