REMARK  Name = BDB042568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.305  -1.001   1.762  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.536  -0.697   1.200  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        2.721  -0.656   2.062  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        3.750   0.399   1.617  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1        4.144   0.220   0.205  0.00  0.00    -0.325 N 
ATOM      6  C   LIG    1        3.215  -0.518  -0.665  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        1.752  -0.352  -0.209  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1        0.185  -1.298   2.950  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.371   0.691  -0.251  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1        6.091   1.719   0.397  0.00  0.00    +0.144 A 
ATOM     11  F   LIG    1        5.594   2.318   1.491  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        7.324   2.184  -0.068  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        7.888   1.633  -1.213  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        7.212   0.616  -1.885  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        5.972   0.157  -1.406  0.00  0.00    +0.045 A 
BRANCH  14  16
ATOM     16  C   LIG    1        7.782   0.032  -3.065  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1        8.239  -0.441  -4.021  0.00  0.00    -0.191 NA
ENDBRANCH  14  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.896  -0.954   0.833  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.206  -1.171   1.593  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -6.163   2.288   0.727  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.315   1.112  -0.200  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.408   0.027  -0.199  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -5.612  -1.045  -1.093  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -4.661  -2.184  -1.087  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1       -3.621  -2.106  -0.187  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.002  -2.909  -0.190  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.404  -1.066   0.682  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -4.765  -3.152  -1.829  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.696  -1.032  -1.970  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -6.916  -2.034  -2.833  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -7.588   0.033  -1.973  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -4.250  -0.025   0.709  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -7.400   1.099  -1.094  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5