REMARK  Name = BDB015897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.137   2.118   0.050  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.368   1.012   0.066  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.970   1.159  -0.026  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.563   2.421  -0.099  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.682   3.487  -0.107  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.658   3.370  -0.042  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.569   0.465   0.325  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.179   0.655   0.243  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.601   1.939   0.139  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.479   3.038   0.123  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.863   2.867   0.206  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.404   1.587   0.307  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.567  -3.480  -0.028  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.454  -2.612   0.266  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.372  -3.112   0.888  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.558  -2.057   0.990  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.113  -0.878   0.438  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.349  -1.282  -0.026  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.997   2.640  -0.145  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.633   3.584  -0.926  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.969   3.448  -0.677  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.045   4.210  -1.264  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.252   2.482   0.214  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.052   1.996   0.541  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.773   0.002  -0.003  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.450   0.047  -0.767  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.051  -1.274  -0.078  0.00  0.00    +0.135 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.056  -2.441  -0.128  0.00  0.00    +0.149 C 
ATOM     29  O   LIG    1       -2.923  -2.243  -1.270  0.00  0.00    -0.373 OA
ATOM     30  C   LIG    1       -4.233  -2.796  -1.086  0.00  0.00    +0.175 C 
ATOM     31  C   LIG    1       -4.244  -4.024  -0.165  0.00  0.00    +0.109 C 
ATOM     32  N   LIG    1       -3.752  -3.739   1.194  0.00  0.00    -0.311 NA
ATOM     33  H   LIG    1       -4.538  -3.533   1.811  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -2.842  -2.575   1.193  0.00  0.00    +0.114 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6