REMARK  Name = BDB059238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.038  -1.032  -1.349  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.832  -0.130  -0.757  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.659   0.149   0.212  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.327  -1.800  -2.236  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.306  -0.044   0.339  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -1.994   0.023  -0.145  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.430  -1.062  -0.826  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -2.196  -2.212  -1.046  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.506  -2.278  -0.573  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.059  -1.197   0.119  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -3.727   1.087   0.981  0.00  0.00    -0.488 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.957   1.052   1.706  0.00  0.00    +0.256 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -7.255   0.809   0.704  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -6.091   1.464   0.815  0.00  0.00    +0.006 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.329  -0.374  -1.069  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        2.415  -1.135  -1.764  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.243  -0.826   0.317  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        2.481  -0.381   1.467  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        3.606  -2.208   0.102  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.683   0.171   0.200  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        5.783  -0.187   0.968  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        5.739  -1.240   1.795  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        6.957   0.559   0.905  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        7.028   1.672   0.067  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        5.922   2.037  -0.703  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.744   1.288  -0.640  0.00  0.00    +0.031 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 7