REMARK  Name = BDB062142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.868   1.857  -1.231  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -3.003   1.056  -1.197  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -3.936   1.789  -1.903  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -5.276   1.385  -2.255  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -3.362   2.975  -2.264  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -2.111   3.045  -1.878  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.233  -0.286  -0.651  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -4.062  -0.517   0.484  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -4.262  -1.851   0.938  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.099  -2.064   2.062  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -5.716  -1.010   2.733  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.510   0.290   2.304  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.615  -2.913   0.254  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -2.792  -2.660  -0.848  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.695   0.531   1.199  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -2.604  -1.359  -1.296  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -3.773  -4.281   0.665  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -3.903  -5.387   0.992  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1       -1.306   1.977   1.691  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -0.286   1.546   0.672  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1       -0.556   1.503  -0.711  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        0.465   1.116  -1.610  0.00  0.00    -0.039 A 
ATOM     23  C   LIG    1        0.254   1.129  -3.102  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        1.725   0.736  -1.111  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        1.986   0.733   0.257  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        0.979   1.140   1.138  0.00  0.00    +0.027 A 
BRANCH  25  27
ATOM     27  N   LIG    1        3.215   0.351   0.820  0.00  0.00    -0.251 N 
ATOM     28  H   LIG    1        3.313   0.400   1.824  0.00  0.00    +0.158 HD
ATOM     29  C   LIG    1        4.340  -0.100   0.191  0.00  0.00    +0.405 C 
ATOM     30  O   LIG    1        4.510  -0.275  -1.004  0.00  0.00    -0.226 OA
BRANCH  29  31
ATOM     31  O   LIG    1        5.275  -0.338   1.147  0.00  0.00    -0.444 OA
BRANCH  31  32
ATOM     32  C   LIG    1        6.594  -0.831   0.796  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1        7.351   0.173  -0.079  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        6.517  -2.217   0.146  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        7.329  -0.962   2.139  0.00  0.00    +0.055 C 
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 6