REMARK  Name = BDB029760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.608  -0.699  -0.110  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        0.689  -1.883   0.620  0.00  0.00    +0.154 A 
ATOM      3  F   LIG    1       -0.412  -2.620   0.844  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        1.914  -2.314   1.129  0.00  0.00    +0.077 A 
ATOM      5 CL   LIG    1        2.015  -3.781   2.028  0.00  0.00    -0.081 Cl
ATOM      6  C   LIG    1        3.074  -1.566   0.917  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.018  -0.372   0.189  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        1.778   0.051  -0.321  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.202   0.436  -0.058  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1        4.198   1.530  -0.894  0.00  0.00    -0.236 NA
ATOM     11  C   LIG    1        5.422   2.005  -0.867  0.00  0.00    +0.199 A 
ATOM     12  N   LIG    1        6.220   1.264  -0.047  0.00  0.00    -0.339 N 
ATOM     13  C   LIG    1        7.614   1.514   0.214  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1        5.460   0.257   0.480  0.00  0.00    +0.115 A 
ENDBRANCH   7   9
BRANCH   1  17
ATOM     15  N   LIG    1       -1.805  -0.965  -0.507  0.00  0.00    -0.228 N 
ATOM     16  H   LIG    1       -1.845  -1.692   0.213  0.00  0.00    +0.171 HD
ATOM     17  C   LIG    1       -0.670  -0.191  -0.675  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -0.715   0.887  -1.265  0.00  0.00    -0.269 OA
BRANCH  15  19
ATOM     19  N   LIG    1       -3.138  -0.257  -0.783  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.954   0.675  -1.191  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -4.114  -0.079   0.609  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -3.821  -1.214   1.462  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -3.938   1.279   1.073  0.00  0.00    -0.157 OA
BRANCH  21  25
ATOM     24  C   LIG    1       -6.805  -0.226   1.027  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1       -5.766  -0.273  -0.089  0.00  0.00    +0.143 C 
ATOM     26  C   LIG    1       -6.061   0.787  -1.144  0.00  0.00    +0.033 C 
ENDBRANCH  21  25
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   1  17
TORSDOF 5