REMARK  Name = BDB055469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.072  -0.241   0.416  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -1.139   0.250   1.660  0.00  0.00    -0.200 NA
ATOM      3  C   LIG    1       -0.002   0.645   2.232  0.00  0.00    +0.215 A 
ATOM      4  N   LIG    1        1.205   0.556   1.679  0.00  0.00    -0.215 NA
ATOM      5  C   LIG    1        1.274   0.058   0.428  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        0.139  -0.352  -0.243  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.629  -0.006  -0.165  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        2.990  -1.022  -1.077  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.290  -1.019  -1.601  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        5.244  -0.067  -1.266  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        6.396  -0.434  -2.012  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1        6.191  -1.516  -2.757  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1        4.899   0.941  -0.352  0.00  0.00    +0.014 A 
ATOM     14  N   LIG    1        4.922  -1.858  -2.481  0.00  0.00    -0.275 N 
ATOM     15  H   LIG    1        4.541  -2.680  -2.933  0.00  0.00    +0.189 HD
ATOM     16  C   LIG    1        3.600   0.954   0.183  0.00  0.00    +0.011 A 
BRANCH  11  17
ATOM     17  N   LIG    1        7.561   0.230  -1.995  0.00  0.00    -0.341 N 
ATOM     18  H   LIG    1        7.571   1.211  -1.747  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        8.203  -0.000  -2.746  0.00  0.00    +0.144 HD
ENDBRANCH  11  17
ENDBRANCH   5   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.539  -0.032   0.140  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1       -2.236  -0.664  -0.257  0.00  0.00    -0.307 N 
ATOM     22  C   LIG    1       -2.346  -2.145  -0.233  0.00  0.00    +0.135 C 
ATOM     23  C   LIG    1       -2.883  -2.641   1.121  0.00  0.00    +0.179 C 
ATOM     24  O   LIG    1       -4.159  -2.057   1.420  0.00  0.00    -0.376 OA
ATOM     25  C   LIG    1       -4.063  -0.619   1.477  0.00  0.00    +0.182 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -4.873   2.136   0.427  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -3.518   1.520   0.058  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -3.130   1.996  -1.349  0.00  0.00    +0.009 C 
ENDBRANCH  20  27
ENDBRANCH   1  21
BRANCH   3  29
ATOM     29  N   LIG    1       -0.074   1.138   3.519  0.00  0.00    -0.327 N 
ATOM     30  H   LIG    1       -0.896   0.775   3.980  0.00  0.00    +0.145 HD
ATOM     31  H   LIG    1        0.815   1.008   3.982  0.00  0.00    +0.145 HD
ENDBRANCH   3  29
TORSDOF 5