REMARK  Name = BDB030030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.749  -0.021  -0.260  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.388  -0.432  -0.932  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.375  -1.272  -1.520  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.685   0.747   0.700  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.489  -0.575  -0.430  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.218  -0.124  -0.042  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.061  -0.543  -0.723  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.185  -1.422  -1.798  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.094  -1.841  -2.460  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.442  -1.875  -2.194  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -3.598  -2.958  -3.525  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.587  -1.456  -1.517  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -7.736   1.475   2.719  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -7.128   0.740   1.640  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -5.790   0.642   1.378  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.701  -0.158   0.258  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -6.960  -0.539  -0.154  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -7.794   0.016   0.696  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.716  -0.168  -0.214  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.552   0.439   0.607  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.514  -1.585   0.290  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.272  -1.719   1.709  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.136  -2.631  -0.640  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.238  -1.175   0.023  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.699   0.074   0.789  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        6.203  -0.017   1.134  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        6.900   0.548  -0.070  0.00  0.00    -0.007 C 
ATOM     28  C   LIG    1        5.918   1.395  -0.818  0.00  0.00    -0.007 C 
ATOM     29  C   LIG    1        7.142   2.026  -0.214  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        4.608   1.348  -0.081  0.00  0.00    +0.009 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6