REMARK  Name = BDB042490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.196  -1.381  -2.082  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -5.151  -1.016   2.352  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -5.363   0.204   1.497  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -4.710   0.383   0.258  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -4.961   1.554  -0.486  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -4.279   1.749  -1.789  0.00  0.00    +0.257 A 
ATOM      7  N   LIG    1       -3.423   0.748  -2.187  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.969   0.907  -3.080  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.163  -0.396  -1.472  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -4.468   2.747  -2.475  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.840   2.536  -0.022  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -6.472   2.346   1.194  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -7.317   3.278   1.653  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.771  -0.608  -0.294  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -6.245   1.200   1.951  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.755  -0.867  -2.206  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.119  -0.534  -0.848  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.263  -0.044  -0.972  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        1.773   0.473   0.323  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        2.685  -0.504   1.095  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1        3.876  -0.877   0.303  0.00  0.00    -0.327 N 
ATOM     22  C   LIG    1        3.665  -0.855  -1.167  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        2.176  -1.076  -1.522  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.134  -0.380   0.669  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        6.283  -1.106   0.305  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        7.566  -0.660   0.636  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.712   0.527   1.336  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1        8.938   0.962   1.655  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.602   1.272   1.707  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        5.321   0.819   1.375  0.00  0.00    +0.026 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5