REMARK  Name = BDB015939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.881   2.128   0.596  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.148   1.111   0.103  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.121   1.360  -0.283  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.670   2.641  -0.201  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.831   3.611   0.319  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.432   3.388   0.729  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.104   0.228   1.364  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.792   0.527   0.958  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.264   1.834   1.025  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.112   2.844   1.516  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.420   2.566   1.919  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.913   1.264   1.842  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.430  -4.727   1.370  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.744  -3.321   1.300  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.019  -2.937   1.109  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.943  -1.603   1.103  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.623  -1.127   1.287  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.872  -2.278   1.414  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.011   2.979  -0.641  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.866   3.845   0.010  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.015   3.875  -0.728  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.209   4.635  -0.450  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -4.972   3.088  -1.817  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.751   2.548  -1.767  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.884   0.294  -0.806  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.785   0.272  -0.330  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.229  -1.011  -0.790  0.00  0.00    +0.103 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.169  -2.049  -1.403  0.00  0.00    +0.021 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.505  -3.427  -1.472  0.00  0.00    +0.029 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.433  -4.478  -2.066  0.00  0.00    +0.156 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -3.545  -4.674  -1.204  0.00  0.00    -0.395 OA
ATOM     32  H   LIG    1       -4.122  -5.332  -1.628  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 9