REMARK  Name = BDB023368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.980   0.858   1.924  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.877  -0.124   2.149  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.013   1.529   1.167  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.236   2.599   0.620  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.242   0.807   1.075  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.193   1.290   0.210  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.271   0.466   0.277  0.00  0.00    +0.139 A 
ATOM      8  C   LIG    1        2.038  -0.555   1.181  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.055  -1.495   1.369  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        4.253  -1.380   0.653  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        4.482  -0.337  -0.267  0.00  0.00    -0.038 A 
ATOM     12  F   LIG    1        2.895  -2.511   2.229  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.452   0.611  -0.453  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        0.734  -0.331   1.696  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  C   LIG    1        5.773  -0.190  -1.055  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        7.107  -0.554  -0.449  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        6.531  -1.398  -1.550  0.00  0.00    +0.009 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  S   LIG    1       -3.565   1.340   2.022  0.00  0.00    +0.078 S 
ATOM     19  O   LIG    1       -4.294   0.213   2.567  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -3.597   2.622   2.691  0.00  0.00    -0.150 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -3.894   0.534  -0.602  0.00  0.00    +0.182 A 
ATOM     22  C   LIG    1       -4.100   1.550   0.344  0.00  0.00    +0.153 A 
ATOM     23  C   LIG    1       -4.735   2.753  -0.001  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -5.181   2.955  -1.304  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.991   1.957  -2.255  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -4.354   0.765  -1.904  0.00  0.00    +0.167 A 
ATOM     27  F   LIG    1       -4.195  -0.146  -2.875  0.00  0.00    -0.202 F 
BRANCH  21  28
ATOM     28  O   LIG    1       -3.240  -0.590  -0.174  0.00  0.00    -0.487 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -2.411  -2.812  -0.344  0.00  0.00    +0.048 C 
ATOM     30  C   LIG    1       -3.101  -1.680  -1.085  0.00  0.00    +0.226 C 
ENDBRANCH  28  30
ENDBRANCH  21  28
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 6