REMARK  Name = BDB018617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.362  -0.709  -1.478  0.00  0.00    +0.032 C 
ATOM      2  C   LIG    1        2.159   0.154  -0.231  0.00  0.00    +0.105 C 
ATOM      3  N   LIG    1        3.246  -0.029   0.714  0.00  0.00    -0.304 N 
ATOM      4  C   LIG    1        3.151  -0.865   1.800  0.00  0.00    +0.152 A 
ATOM      5  N   LIG    1        4.281  -0.826   2.467  0.00  0.00    -0.132 NA
ATOM      6  N   LIG    1        5.120   0.041   1.815  0.00  0.00    -0.127 NA
ATOM      7  C   LIG    1        1.924  -1.631   2.148  0.00  0.00    +0.184 C 
ATOM      8  N   LIG    1        0.854  -1.456   1.162  0.00  0.00    -0.288 N 
ATOM      9  C   LIG    1       -0.266  -2.269   1.347  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -0.353  -3.088   2.260  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        4.500   0.534   0.752  0.00  0.00    +0.183 A 
ATOM     12  C   LIG    1        0.820  -0.167   0.457  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.431  -2.141   0.454  0.00  0.00    +0.072 A 
ATOM     14  C   LIG    1       -1.308  -2.306  -0.923  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1       -0.116  -2.553  -1.483  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -2.425  -2.208  -1.745  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1       -3.681  -1.966  -1.184  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -3.829  -1.836   0.206  0.00  0.00    -0.041 A 
ATOM     19  C   LIG    1       -2.693  -1.928   1.024  0.00  0.00    +0.020 A 
BRANCH  18  20
ATOM     20  C   LIG    1       -5.193  -1.584   0.804  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.608  -0.129   0.678  0.00  0.00    +0.066 A 
ATOM     22  N   LIG    1       -6.267   0.243  -0.379  0.00  0.00    -0.176 NA
ATOM     23  N   LIG    1       -6.610   1.563  -0.458  0.00  0.00    -0.243 N 
ATOM     24  H   LIG    1       -7.125   1.852  -1.284  0.00  0.00    +0.192 HD
ATOM     25  C   LIG    1       -6.312   2.529   0.469  0.00  0.00    +0.265 A 
ATOM     26  O   LIG    1       -6.633   3.705   0.346  0.00  0.00    -0.266 OA
ATOM     27  C   LIG    1       -5.565   2.072   1.655  0.00  0.00    +0.073 A 
ATOM     28  C   LIG    1       -5.216   0.789   1.775  0.00  0.00    +0.031 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  13
BRANCH  11  29
ATOM     29  C   LIG    1        5.085   1.496  -0.186  0.00  0.00    +0.108 A 
ATOM     30  N   LIG    1        4.288   1.954  -1.182  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        4.828   2.842  -2.049  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        6.130   3.304  -1.972  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        6.934   2.828  -0.945  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        6.406   1.913  -0.038  0.00  0.00    +0.031 A 
ENDBRANCH  11  29
TORSDOF 4