REMARK  Name = BDB004675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.905   0.224   0.495  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.540   0.108   0.834  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.748  -0.762   0.057  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.382  -0.849   0.399  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.131  -0.185   1.441  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        0.695   0.605   2.121  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        2.333  -1.503  -1.001  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.679  -1.378  -1.314  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        1.994   0.793   1.863  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.462  -0.511  -0.570  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.387   1.865   2.263  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.415   1.800   2.552  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.026   2.456   2.774  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.859   1.118   1.225  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.042   1.190   0.909  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.473  -1.686  -0.345  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.363  -1.474  -1.330  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.881  -1.722   0.056  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.676  -0.542  -0.485  0.00  0.00    -0.019 A 
ATOM     20  C   LIG    1       -3.470   0.291   0.342  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1       -4.150   1.382  -0.241  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -4.088   1.628  -1.611  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.351   0.784  -2.429  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.658  -0.292  -1.875  0.00  0.00    +0.006 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -3.640   0.062   1.831  0.00  0.00    +0.418 C 
ATOM     26  F   LIG    1       -2.585   0.488   2.575  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -4.725   0.716   2.344  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -3.841  -1.247   2.153  0.00  0.00    -0.166 F 
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5