REMARK  Name = BDB057437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.266  -1.049  -0.073  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.609  -2.280   0.134  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.790  -2.240   0.051  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        1.507  -3.417   0.227  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.876  -4.634   0.494  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.506  -4.684   0.596  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        1.472  -1.118  -0.182  0.00  0.00    -0.224 NA
ATOM      8  C   LIG    1        0.755   0.008  -0.326  0.00  0.00    +0.203 A 
ATOM      9  C   LIG    1       -1.247  -3.517   0.420  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.582   0.088  -0.281  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.679  -1.004  -0.019  0.00  0.00    -0.282 N 
ATOM     12  H   LIG    1       -3.092  -1.792  -0.502  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -4.698   3.504   0.573  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -4.370   2.087   0.311  0.00  0.00    +0.035 A 
ATOM     15  N   LIG    1       -5.288   1.192  -0.158  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -6.264   1.356  -0.380  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -4.798  -0.046  -0.329  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1       -3.512   0.058   0.017  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1       -3.201   1.371   0.439  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  C   LIG    1        1.494   1.282  -0.591  0.00  0.00    +0.230 C 
ATOM     21  O   LIG    1        0.914   2.276  -1.028  0.00  0.00    -0.283 OA
BRANCH  20  22
ATOM     22  C   LIG    1        2.958   1.383  -0.351  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.715   2.184  -1.218  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        5.089   2.331  -1.022  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.712   1.691   0.048  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.962   0.910   0.927  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        3.586   0.761   0.735  0.00  0.00    +0.012 A 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 4