REMARK  Name = BDB030230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.139   0.838  -0.169  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.058   0.942  -0.854  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.276   0.314  -1.633  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.285   1.332   0.949  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.570  -0.697  -0.678  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -3.470  -0.017  -0.125  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.253   0.099  -0.820  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.136  -0.478  -2.082  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.984  -0.390  -2.766  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.216  -1.156  -2.646  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.078  -1.866  -4.210  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.422  -1.265  -1.953  0.00  0.00    +0.031 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -8.349   1.468   1.828  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -7.679   0.233   1.301  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -6.473   0.329   0.591  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.840  -0.809   0.060  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -6.458  -2.056   0.251  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -7.667  -2.160   0.944  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -8.277  -1.020   1.461  0.00  0.00    +0.003 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1        1.267   1.381  -0.017  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1        0.948   1.695   0.915  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.440   0.150   0.177  0.00  0.00    +0.046 S 
ATOM     23  O   LIG    1        2.211  -0.439   1.476  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1        2.412  -0.641  -1.037  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.930   1.132   0.215  0.00  0.00    +0.206 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.157   0.287   0.574  0.00  0.00    +0.093 C 
ATOM     27  N   LIG    1        6.344   1.128   0.910  0.00  0.00    -0.298 NA
ATOM     28  C   LIG    1        6.785   1.994  -0.183  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        7.448   0.258   1.383  0.00  0.00    +0.099 C 
ATOM     30  C   LIG    1        7.425  -1.202   0.864  0.00  0.00    +0.096 C 
ATOM     31  N   LIG    1        6.851  -1.332  -0.482  0.00  0.00    -0.313 NA
ATOM     32  H   LIG    1        7.412  -0.761  -1.113  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        5.469  -0.809  -0.495  0.00  0.00    +0.101 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6