REMARK  Name = BDB061182
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.240  -0.279  -0.198  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1        1.580  -1.290   0.560  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1        0.207  -1.334   0.470  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.189  -2.339   1.304  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.856  -2.858   1.903  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.553  -0.438  -0.294  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.057   0.526  -0.930  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        1.967  -2.181   1.454  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.434   0.585  -0.854  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1        4.295  -2.433  -0.059  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        4.526  -1.233  -0.058  0.00  0.00    +0.220 C 
ATOM     12  N   LIG    1        3.624  -0.164  -0.198  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1        4.306   1.086  -0.470  0.00  0.00    +0.121 C 
ATOM     14  C   LIG    1        5.747   0.816  -0.153  0.00  0.00    -0.005 C 
ATOM     15  C   LIG    1        6.845   1.659  -0.766  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        6.545   1.782   0.699  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        5.926  -0.663   0.013  0.00  0.00    +0.104 C 
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1       -1.925  -0.587  -0.333  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.292  -1.520  -0.181  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.731   0.180  -1.269  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.182   0.015  -0.922  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.768   0.668   0.158  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.192   1.653   1.105  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.310   1.678   2.147  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.540   1.228   1.533  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.115   0.499   0.452  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.937  -0.317  -0.298  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.368  -0.997  -1.375  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.009  -0.831  -1.673  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.495  -1.508  -2.710  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4