REMARK  Name = BDB001093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.801  -0.241  -1.761  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.429   0.415  -1.607  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.626  -0.293  -1.769  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.603  -1.641  -2.110  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        2.742  -2.326  -2.291  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        0.390  -2.307  -2.253  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -0.809  -1.611  -2.074  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.900   0.432  -1.653  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        3.715   0.187  -0.556  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        3.369  -0.690   0.569  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        4.564  -0.948   1.504  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        5.178   0.276   2.040  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1        6.132   0.067   2.332  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        5.185   1.377   1.060  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        4.946   0.965  -0.404  0.00  0.00    +0.123 C 
ATOM     16  O   LIG    1        3.146   1.264  -2.522  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  C   LIG    1       -2.100   0.503  -1.572  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.627   0.108  -0.306  0.00  0.00    -0.487 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -4.455   0.015   1.224  0.00  0.00    +0.081 A 
ATOM     20  C   LIG    1       -3.874   0.553   0.051  0.00  0.00    +0.136 A 
ATOM     21  C   LIG    1       -4.582   1.516  -0.683  0.00  0.00    +0.087 A 
ATOM     22  C   LIG    1       -5.845   1.928  -0.263  0.00  0.00    +0.162 A 
ATOM     23  F   LIG    1       -6.503   2.848  -0.981  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1       -6.416   1.396   0.882  0.00  0.00    +0.159 A 
ATOM     25  F   LIG    1       -7.631   1.797   1.278  0.00  0.00    -0.202 F 
ATOM     26  C   LIG    1       -5.732   0.446   1.627  0.00  0.00    +0.058 A 
BRANCH  19  30
ATOM     27  N   LIG    1       -2.552  -1.437   1.801  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -2.115  -2.116   2.409  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -2.033  -1.066   1.014  0.00  0.00    +0.145 HD
ATOM     30  C   LIG    1       -3.811  -1.013   2.102  0.00  0.00    +0.245 C 
ATOM     31  O   LIG    1       -4.394  -1.472   3.079  0.00  0.00    -0.270 OA
ENDBRANCH  19  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5