REMARK  Name = BDB036253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.525   2.078   0.672  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1       -3.038   0.856   0.290  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.067  -0.014   0.485  0.00  0.00    +0.150 A 
ATOM      4  N   LIG    1       -0.915   0.608   0.922  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1        0.288  -0.090   1.144  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.330  -1.388   0.989  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1       -0.827  -2.022   0.584  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -2.010  -1.426   0.325  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1       -1.217   1.938   1.087  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.146  -2.256  -0.123  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -3.861  -3.110   0.734  0.00  0.00    +0.049 A 
ATOM     12 CL   LIG    1       -3.485  -3.249   2.417  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -4.924  -3.877   0.245  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -5.287  -3.797  -1.100  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.593  -2.947  -1.957  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.531  -2.181  -1.472  0.00  0.00    +0.010 A 
ENDBRANCH   8  10
BRANCH   5  17
ATOM     17  N   LIG    1        1.437   0.564   1.530  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.144  -0.131   1.762  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.002   1.629   0.709  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.472   1.413   0.488  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.964   0.387  -0.315  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.250  -0.696  -1.036  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        4.392  -1.203  -1.916  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        5.652  -0.852  -1.298  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.331   0.207  -0.490  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.266   1.020   0.120  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.797   2.060   0.922  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.418   2.248   1.096  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        4.009   3.259   1.876  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   1  30
ATOM     30  C   LIG    1       -3.358   3.310   0.592  0.00  0.00    +0.135 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.362   3.770  -0.796  0.00  0.00    -0.325 NA
ATOM     32  H   LIG    1       -3.662   2.979  -1.369  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -4.085   4.478  -0.899  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 6