REMARK  Name = BDB042692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.240  -1.397   0.389  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.370  -0.760  -0.133  0.00  0.00    -0.301 N 
ATOM      3  C   LIG    1        1.440   0.686  -0.342  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        2.444   1.074  -1.421  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        3.815   0.417  -1.231  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        3.654  -1.093  -1.048  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.652  -1.443   0.044  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1        0.284  -2.539   0.848  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  N   LIG    1        4.508   1.039  -0.098  0.00  0.00    -0.341 N 
ATOM     10  H   LIG    1        3.986   1.015   0.775  0.00  0.00    +0.146 HD
BRANCH   9  11
ATOM     11  C   LIG    1        5.879   0.895   0.116  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        6.401   1.289   1.360  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        7.772   1.232   1.631  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        8.649   0.800   0.644  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       10.337   0.727   0.966  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        8.165   0.439  -0.608  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        6.790   0.500  -0.870  0.00  0.00    +0.024 A 
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.066  -0.621   0.349  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.235  -1.454   0.881  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -6.666  -1.607  -2.072  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -6.783  -0.507  -1.050  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.756  -0.228  -0.119  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -5.934   0.816   0.813  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -4.856   1.105   1.791  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1       -3.730   0.314   1.710  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.021   0.520   2.405  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.539  -0.699   0.803  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -4.929   1.990   2.633  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.110   1.564   0.815  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -7.309   2.563   1.686  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -8.120   1.292  -0.099  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -4.498  -0.992  -0.089  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -7.960   0.263  -1.026  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5