REMARK  Name = BDB027661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.332  -0.775  -0.497  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.215  -1.865  -1.192  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.609  -1.907  -1.224  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.168  -2.984  -1.895  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.485  -3.980  -2.519  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.145  -3.897  -2.485  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.382  -0.974  -0.649  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.762   0.048  -0.037  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.530  -2.876  -1.844  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.429   0.173   0.064  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.600   1.093   0.578  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.995   0.964   0.660  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.741   1.972   1.251  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.206   3.098   1.764  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        2.866   3.221   1.677  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.040   2.266   1.107  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.741  -0.655  -0.377  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1       -2.095  -1.525   0.013  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.409   0.523   0.204  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1       -2.205   0.632   1.745  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -3.470  -0.223   1.942  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -3.899   0.161   0.514  0.00  0.00    +0.035 C 
BRANCH  19  24
ATOM     23  F   LIG    1       -2.636   1.624  -1.895  0.00  0.00    -0.168 F 
ATOM     24  C   LIG    1       -2.272   1.819  -0.603  0.00  0.00    +0.411 C 
ATOM     25  F   LIG    1       -3.087   2.782  -0.099  0.00  0.00    -0.168 F 
ATOM     26  F   LIG    1       -1.018   2.324  -0.590  0.00  0.00    -0.168 F 
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4