REMARK  Name = BDB042451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.172  -0.031   0.694  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -0.940   0.365  -0.034  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -1.302   1.787  -0.086  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1       -2.812   2.002   0.133  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1       -3.644   1.189  -0.794  0.00  0.00    -0.325 N 
ATOM      6  C   LIG    1       -2.914   0.168  -1.571  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1       -1.862  -0.558  -0.715  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1        0.886   0.781   1.283  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.939   0.926  -0.326  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -5.492  -0.360  -0.165  0.00  0.00    +0.146 A 
ATOM     11  F   LIG    1       -4.763  -1.459  -0.413  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -6.795  -0.560   0.297  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1       -7.596   0.534   0.615  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -7.083   1.823   0.468  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -5.774   2.010   0.005  0.00  0.00    +0.027 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -8.934   0.337   1.088  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1      -10.017   0.177   1.474  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.440  -1.529   0.763  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.750  -1.872   1.478  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1        5.597   1.774   0.993  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        5.816   0.683  -0.022  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        4.950  -0.429  -0.131  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        5.208  -1.413  -1.107  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        4.294  -2.576  -1.221  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1        3.231  -2.608  -0.345  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        2.633  -3.420  -0.439  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        2.964  -1.654   0.606  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        4.446  -3.476  -2.039  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        6.309  -1.291  -1.954  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        6.581  -2.208  -2.893  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        7.163  -0.199  -1.847  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        3.778  -0.597   0.743  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        6.919   0.782  -0.888  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5