REMARK  Name = BDB056898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.071   3.180  -0.821  0.00  0.00    +0.091 A 
ATOM      2  C   LIG    1        0.095   1.880  -0.279  0.00  0.00    +0.119 A 
ATOM      3  C   LIG    1        1.281   1.416  -0.803  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        1.754   0.161  -0.470  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1        0.971  -0.568   0.356  0.00  0.00    -0.198 NA
ATOM      6  C   LIG    1       -0.179  -0.057   0.836  0.00  0.00    +0.218 A 
ATOM      7  N   LIG    1        1.728   2.408  -1.622  0.00  0.00    -0.272 N 
ATOM      8  H   LIG    1        2.558   2.400  -2.204  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -0.666   1.157   0.563  0.00  0.00    -0.211 NA
ATOM     10  N   LIG    1        0.943   3.502  -1.644  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -0.717   5.434   0.074  0.00  0.00    +0.014 C 
ATOM     12  C   LIG    1       -1.203   4.132  -0.566  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1       -1.997   4.422  -1.841  0.00  0.00    +0.014 C 
ENDBRANCH   1  12
BRANCH   6  14
ATOM     14  N   LIG    1       -0.875  -0.912   1.679  0.00  0.00    -0.311 N 
ATOM     15  H   LIG    1       -0.488  -1.837   1.533  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.330  -0.817   1.672  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1       -2.911  -1.411   0.379  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -4.439  -1.442   0.409  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -4.959  -2.197   1.636  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -4.386  -1.609   2.929  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -2.860  -1.580   2.896  0.00  0.00    +0.024 C 
BRANCH  19  22
ATOM     22  N   LIG    1       -6.418  -2.138   1.670  0.00  0.00    -0.327 NA
ATOM     23  H   LIG    1       -6.768  -2.680   2.460  0.00  0.00    +0.118 HD
ATOM     24  H   LIG    1       -6.802  -2.571   0.831  0.00  0.00    +0.118 HD
ENDBRANCH  19  22
ENDBRANCH  14  16
ENDBRANCH   6  14
BRANCH   4  25
ATOM     25  N   LIG    1        2.954  -0.338  -0.968  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1        3.660   0.376  -1.093  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.460  -1.519  -0.283  0.00  0.00    +0.138 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.816  -1.866  -0.855  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.989  -1.591  -0.137  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        7.238  -1.899  -0.679  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.327  -2.478  -1.944  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.169  -2.748  -2.670  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.919  -2.442  -2.130  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 7