REMARK  Name = BDB028645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.336  -1.489  -2.467  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1        0.220  -0.999  -3.160  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.138  -1.697  -1.181  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1        1.439  -1.335  -0.741  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        1.451  -1.706   0.592  0.00  0.00    +0.170 A 
ATOM      6  C   LIG    1        2.539  -1.540   1.447  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        3.694  -0.959   0.893  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.697  -0.567  -0.452  0.00  0.00    +0.129 A 
ATOM      9  F   LIG    1        4.797   0.001  -0.968  0.00  0.00    -0.205 F 
ATOM     10  O   LIG    1        0.248  -2.244   0.920  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        2.590  -0.746  -1.289  0.00  0.00    +0.054 A 
ATOM     12  N   LIG    1       -0.576  -2.239  -0.191  0.00  0.00    -0.061 NA
BRANCH   7  13
ATOM     13  C   LIG    1        4.911  -0.722   1.749  0.00  0.00    +0.181 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.789   0.517   2.503  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        4.261   0.501   3.746  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.316   1.779   4.128  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        4.883   2.610   3.144  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.184   1.763   2.104  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  19
ATOM     19  S   LIG    1       -1.874  -1.897  -2.989  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -2.046  -3.314  -2.759  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.971  -1.342  -4.325  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -3.395   1.235  -0.921  0.00  0.00    -0.020 A 
ATOM     23  C   LIG    1       -2.616   0.422  -1.758  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -2.945  -0.929  -1.961  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -4.075  -1.468  -1.352  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1       -4.880  -0.653  -0.550  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -4.538   0.684  -0.328  0.00  0.00    +0.009 A 
BRANCH  25  28
ATOM     28  O   LIG    1       -4.492  -2.744  -1.602  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -4.244  -3.592  -0.479  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
BRANCH  22  30
ATOM     30  C   LIG    1       -3.058   2.692  -0.712  0.00  0.00    +0.194 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -1.292   4.237  -0.521  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -1.642   2.878  -0.741  0.00  0.00    -0.378 OA
ENDBRANCH  30  32
ENDBRANCH  22  30
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8