REMARK  Name = BDB059473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.094   0.694  -0.091  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -2.078  -0.369   0.766  0.00  0.00    +0.168 A 
ATOM      3  C   LIG    1       -0.753  -0.695   0.933  0.00  0.00    +0.111 A 
ATOM      4  C   LIG    1       -0.439  -1.772   1.829  0.00  0.00    +0.264 A 
ATOM      5  N   LIG    1       -1.566  -2.365   2.371  0.00  0.00    -0.295 N 
ATOM      6  H   LIG    1       -1.390  -3.092   3.043  0.00  0.00    +0.172 HD
ATOM      7  C   LIG    1       -2.856  -1.947   2.130  0.00  0.00    +0.195 A 
ATOM      8  O   LIG    1        0.691  -2.149   2.117  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -0.019   0.209   0.129  0.00  0.00    +0.107 A 
ATOM     10  N   LIG    1       -3.158  -0.958   1.337  0.00  0.00    -0.197 NA
ATOM     11  N   LIG    1       -0.855   1.071  -0.485  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.425   0.312  -0.084  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        2.209  -0.842  -0.266  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        3.585  -0.689  -0.488  0.00  0.00    +0.112 A 
ATOM     15  C   LIG    1        4.125   0.587  -0.522  0.00  0.00    +0.157 A 
ATOM     16  O   LIG    1        5.464   0.465  -0.753  0.00  0.00    -0.425 OA
ATOM     17  C   LIG    1        5.654  -0.881  -0.838  0.00  0.00    +0.286 A 
ATOM     18  C   LIG    1        3.400   1.758  -0.355  0.00  0.00    +0.049 A 
ATOM     19  N   LIG    1        4.575  -1.615  -0.703  0.00  0.00    -0.196 NA
ATOM     20  C   LIG    1        2.026   1.588  -0.139  0.00  0.00    +0.014 A 
BRANCH  17  21
ATOM     21  N   LIG    1        6.904  -1.285  -1.076  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1        7.514  -0.606  -1.513  0.00  0.00    +0.147 HD
ATOM     23  H   LIG    1        6.986  -2.218  -1.461  0.00  0.00    +0.147 HD
ENDBRANCH  17  21
ENDBRANCH   9  12
BRANCH   1  25
ATOM     24  C   LIG    1       -3.252   2.872  -0.116  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1       -3.266   1.413  -0.574  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -3.398   1.309  -2.094  0.00  0.00    +0.032 C 
ENDBRANCH   1  25
BRANCH   7  27
ATOM     27  N   LIG    1       -3.838  -2.632   2.768  0.00  0.00    -0.329 N 
ATOM     28  H   LIG    1       -4.755  -2.410   2.392  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -3.696  -3.629   2.870  0.00  0.00    +0.145 HD
ENDBRANCH   7  27
TORSDOF 4