REMARK  Name = BDB059262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.175   0.288  -0.104  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.237  -0.526   0.248  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.246  -1.517   0.009  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.254   1.513  -0.091  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.512  -0.428  -0.489  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -2.300   0.185  -0.134  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -1.080  -0.398  -0.499  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.066  -1.582  -1.247  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.270  -2.190  -1.604  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.490  -1.622  -1.225  0.00  0.00    +0.028 A 
BRANCH   5  14
ATOM     11  C   LIG    1       -6.434   2.799   1.608  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -6.044   1.597   0.833  0.00  0.00    +0.060 A 
ATOM     13  N   LIG    1       -4.752   1.311   0.644  0.00  0.00    -0.172 NA
ATOM     14  N   LIG    1       -4.742   0.173  -0.095  0.00  0.00    -0.240 N 
ATOM     15  C   LIG    1       -6.024  -0.257  -0.360  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -6.882   0.644   0.225  0.00  0.00    +0.044 A 
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  N   LIG    1        2.620   0.146   0.234  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.514   1.160   0.059  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.667  -0.495  -0.971  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.832   0.561  -1.943  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.138  -1.802  -1.311  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        5.185  -0.727  -0.120  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        6.314  -0.999  -0.882  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        6.241  -1.104  -2.216  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        7.550  -1.182  -0.268  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.654  -1.092   1.121  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.520  -0.823   1.889  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.280  -0.640   1.273  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5