REMARK  Name = BDB023271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.463   0.331   0.141  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.781   0.953  -0.286  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.025  -0.765   0.890  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.784  -1.559   1.426  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.416  -0.877   0.903  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.172   0.049   0.226  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.479  -0.288   0.404  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.580  -1.429   1.184  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.863  -1.915   1.457  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.987  -1.251   0.951  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.860  -0.093   0.172  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.030  -3.015   2.204  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.573   0.402  -0.117  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.250  -1.804   1.504  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.992   0.581  -0.353  0.00  0.00    -0.321 N 
ATOM     16  C   LIG    1        7.385   0.417   0.027  0.00  0.00    +0.141 C 
ATOM     17  C   LIG    1        7.621   1.813  -0.578  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1        6.115   2.016  -0.430  0.00  0.00    +0.107 C 
BRANCH  16  19
ATOM     19  C   LIG    1        8.119  -0.698  -0.698  0.00  0.00    +0.361 C 
ATOM     20  F   LIG    1        7.869  -1.886  -0.090  0.00  0.00    -0.207 F 
ATOM     21  F   LIG    1        9.457  -0.484  -0.576  0.00  0.00    -0.207 F 
ENDBRANCH  16  19
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  S   LIG    1       -2.970   1.019   0.299  0.00  0.00    +0.077 S 
ATOM     23  O   LIG    1       -2.877   2.225  -0.500  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.244   1.063   1.718  0.00  0.00    -0.150 OA
BRANCH  22  34
ATOM     25  C   LIG    1       -7.743   2.320   1.550  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -7.274   1.212   0.656  0.00  0.00    +0.039 A 
ATOM     27  N   LIG    1       -5.940   1.090   0.471  0.00  0.00    -0.250 NA
ATOM     28  C   LIG    1       -5.449   0.104  -0.311  0.00  0.00    +0.098 A 
ATOM     29  C   LIG    1       -6.325  -0.792  -0.964  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.831  -1.804  -1.805  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -4.465  -1.939  -2.022  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -3.585  -1.071  -1.389  0.00  0.00    +0.031 A 
ATOM     33  C   LIG    1       -7.703  -0.649  -0.763  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1       -4.081  -0.075  -0.531  0.00  0.00    +0.134 A 
ATOM     35  C   LIG    1       -8.187   0.361   0.058  0.00  0.00    +0.023 A 
ENDBRANCH  22  34
ENDBRANCH   1  22
TORSDOF 5