REMARK  Name = BDB023134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.468   0.299   1.599  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.292   1.295   1.616  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.489  -0.600   1.155  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.750  -1.750   0.835  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.837  -0.014   1.091  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.845  -0.776   0.553  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.987  -0.039   0.587  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.738   1.202   1.146  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.814   2.090   1.261  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.083   1.710   0.814  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.306   0.449   0.240  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.639   3.305   1.798  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.237  -0.458   0.131  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.356   1.214   1.472  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.599   0.079  -0.193  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.936  -0.913  -1.176  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.336  -0.292  -1.198  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.661   0.951  -0.610  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.096  -0.040   1.565  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.284  -1.149   2.469  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.767   1.223   1.805  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.853   0.317  -1.122  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.449  -0.491  -0.125  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -4.265  -1.580  -0.509  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1       -4.340  -1.878  -1.895  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -3.684  -1.117  -2.861  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.947  -0.011  -2.475  0.00  0.00    +0.048 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.128  -2.475   0.377  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -6.068  -1.747   1.341  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -4.350  -3.632   1.007  0.00  0.00    +0.012 C 
ENDBRANCH  24  28
BRANCH  22  31
ATOM     31  O   LIG    1       -2.108   1.425  -0.789  0.00  0.00    -0.490 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -2.109   3.783  -0.429  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -2.807   2.633  -1.130  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  22  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7