REMARK  Name = BDB004568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.527  -3.099   1.226  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        0.654  -2.408   1.549  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        0.678  -1.024   1.304  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.874  -0.345   1.627  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        2.921  -0.974   2.184  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.799  -2.284   2.381  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -0.468  -0.375   0.767  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -1.623  -1.066   0.412  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        1.730  -3.029   2.082  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -1.642  -2.431   0.677  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        0.287  -5.257   2.077  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        1.154  -4.796   2.338  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        0.202  -6.259   2.172  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -0.700  -4.571   1.434  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -1.698  -5.165   1.040  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        1.963   1.044   1.396  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        1.699   1.230   0.432  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.231   1.699   1.707  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.079   1.830   0.462  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.928   2.934  -0.390  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.692   3.042  -1.553  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.610   2.045  -1.879  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.763   0.939  -1.045  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.000   0.830   0.118  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
BRANCH   8  25
ATOM     25  N   LIG    1       -2.784  -0.454  -0.051  0.00  0.00    -0.340 N 
ATOM     26  H   LIG    1       -3.399  -1.093  -0.552  0.00  0.00    +0.146 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.734   0.864  -0.667  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.091   1.200  -1.240  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -4.316   1.162  -2.623  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.577   1.461  -3.143  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.625   1.794  -2.287  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.416   1.824  -0.909  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.157   1.526  -0.388  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 7