REMARK  Name = BDB015973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.998   2.218   0.106  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.082   1.234   0.160  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.203   1.557   0.410  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.590   2.880   0.631  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.571   3.813   0.552  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.717   3.520   0.284  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.088   0.093  -0.612  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.768   0.482  -0.331  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.395   1.836  -0.183  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.409   2.800  -0.325  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.727   2.433  -0.605  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.063   1.087  -0.750  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.544  -4.227  -0.697  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.519  -3.217  -0.795  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.273  -3.574  -1.153  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.602  -2.419  -1.127  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.414  -1.316  -0.767  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.656  -1.881  -0.555  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.948   3.285   0.945  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.567   4.423   0.467  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.827   4.423   0.995  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.858   5.410   0.787  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.076   3.362   1.782  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.930   2.675   1.758  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.156   0.517   0.468  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.944   0.762  -0.128  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.634  -0.821   0.172  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.770  -1.842   0.291  0.00  0.00    +0.053 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.339  -3.296   0.018  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -1.815  -3.492  -1.407  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -3.520  -4.238   0.273  0.00  0.00    +0.041 C 
BRANCH  29  32
ATOM     32  O   LIG    1       -1.297  -3.640   0.931  0.00  0.00    -0.389 OA
ATOM     33  H   LIG    1       -1.033  -4.561   0.762  0.00  0.00    +0.210 HD
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 8