REMARK  Name = BDB030199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.695   1.603   0.884  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.616   0.669   1.310  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        2.219   0.949   2.079  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.650   2.731   1.361  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.047   0.753   1.575  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1       -1.571   0.793   0.145  0.00  0.00    -0.028 A 
ATOM      7  C   LIG    1       -0.257   1.205  -0.162  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1        0.186   1.294  -1.480  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        1.429   1.715  -1.757  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.657   0.956  -2.527  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.961   0.548  -2.250  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -2.441   0.472  -0.925  0.00  0.00    -0.014 A 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.839   0.067  -0.712  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -4.821   1.017  -0.389  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -6.148   0.631  -0.189  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.511  -0.708  -0.314  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.549  -1.663  -0.638  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.222  -1.277  -0.838  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.455  -0.792   1.023  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        1.217  -1.399   1.813  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.536  -1.574  -0.036  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        2.137  -1.300  -1.398  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        2.662  -2.928   0.460  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.077  -0.742   0.275  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        4.427   0.372  -0.496  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        5.643   1.016  -0.261  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        6.503   0.537   0.729  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        8.001   1.333   1.016  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        6.160  -0.584   1.486  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        4.944  -1.233   1.258  0.00  0.00    +0.030 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5