REMARK  Name = BDB007692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.043   0.788   0.224  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1       -1.932   0.294  -1.786  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1       -2.331   0.603  -0.668  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1       -1.485   0.932   0.371  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1       -1.834   0.840   1.317  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1       -3.789   0.596  -0.363  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -4.634  -0.180  -1.164  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -6.018  -0.216  -0.917  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -6.572   0.538   0.140  0.00  0.00    +0.071 A 
ATOM     10  N   LIG    1       -7.888   0.534   0.414  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1       -8.694  -0.225  -0.361  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -8.247  -0.996  -1.418  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -5.717   1.312   0.913  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -6.886  -0.989  -1.698  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -4.338   1.353   0.674  0.00  0.00    +0.015 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        0.400  -0.656   0.489  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.233  -0.938   1.893  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1        1.127  -0.813   2.276  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1        1.862  -0.963   0.087  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.855  -0.486   1.083  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1        4.090  -1.301   1.024  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        5.093  -0.820   0.005  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        5.381   0.555  -0.010  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        6.353   1.061  -0.873  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.026   0.195  -1.735  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.735  -1.171  -1.729  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.605   1.412   0.952  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1        5.774  -1.682  -0.855  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        3.127   0.969   0.943  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6