REMARK  Name = BDB030042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.718  -0.914  -1.199  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.687  -1.819  -1.605  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.599  -2.794  -1.314  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.898   0.301  -1.189  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.843  -1.011   0.091  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.589  -0.559  -0.348  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        0.588  -1.465  -0.743  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.853  -2.833  -0.692  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -0.090  -3.719  -1.055  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        2.096  -3.294  -0.260  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        2.423  -4.984  -0.202  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        3.085  -2.391   0.128  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1        5.446   3.036   1.317  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1        5.037   1.682   1.046  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1        3.801   1.278   0.624  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1        3.893  -0.094   0.505  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1        5.159  -0.516   0.849  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.821   0.573   1.168  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -3.115  -1.295  -1.699  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -3.661  -1.686  -2.472  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -4.018  -1.352  -0.252  0.00  0.00    +0.075 S 
ATOM     22  O   LIG    1       -3.136  -1.749   0.826  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -5.206  -2.118  -0.567  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.481   0.324  -0.025  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1       -3.585   1.204   0.553  0.00  0.00    +0.139 A 
ATOM     26  N   LIG    1       -3.887   2.501   0.815  0.00  0.00    -0.261 NA
ATOM     27  C   LIG    1       -5.128   2.919   0.481  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -6.090   2.102  -0.094  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -5.761   0.773  -0.347  0.00  0.00    +0.031 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5