REMARK  Name = BDB042577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.547   0.765  -0.480  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.710   1.161  -1.234  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.841   0.385  -1.015  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -2.041  -0.482   0.157  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.935   0.222   1.203  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -4.205   0.695   0.601  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1       -3.987   1.548  -0.603  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -3.106   0.810  -1.633  0.00  0.00    +0.126 C 
ATOM      9  O   LIG    1       -0.714   2.119  -2.006  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1       -5.343  -0.115   0.603  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -6.601   0.435   0.303  0.00  0.00    +0.061 A 
ATOM     12  C   LIG    1       -7.757  -0.343   0.309  0.00  0.00    +0.125 A 
ATOM     13  F   LIG    1       -8.934   0.225   0.015  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -7.711  -1.692   0.622  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -6.487  -2.263   0.945  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -5.323  -1.480   0.941  0.00  0.00    +0.023 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.757   1.588  -0.926  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1        6.206  -1.068  -2.159  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        6.256  -0.652  -0.712  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        5.210   0.073  -0.098  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1        5.323   0.433   1.261  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1        4.225   1.198   1.902  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1        3.147   1.506   1.101  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1        2.425   2.050   1.559  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        3.017   1.154  -0.220  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1        4.243   1.549   3.075  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        6.455   0.074   1.991  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1        6.592   0.398   3.284  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        7.484  -0.640   1.389  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        3.996   0.470  -0.832  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1        7.387  -1.001   0.047  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4