REMARK  Name = BDB059323
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.178   0.311   1.957  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.842   0.426   0.750  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.363   0.385  -0.148  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.775   0.085   3.008  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.470   0.443   0.851  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.083   0.260   0.809  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.299   0.495   1.945  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -1.917   0.899   3.134  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.298   1.094   3.175  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.072   0.873   2.034  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -4.106   0.182  -0.330  0.00  0.00    -0.492 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -6.128   1.471  -0.682  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -5.532   0.116  -0.345  0.00  0.00    +0.225 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  N   LIG    1        2.288  -0.088   0.728  0.00  0.00    -0.108 NA
ATOM     15  H   LIG    1        2.587  -0.341   1.685  0.00  0.00    +0.172 HD
BRANCH  14  16
ATOM     16  S   LIG    1        2.513  -1.453  -0.283  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1        2.638  -2.623   0.554  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1        1.491  -1.363  -1.311  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.070  -1.123  -1.024  0.00  0.00    +0.142 A 
ATOM     20  C   LIG    1        5.175  -0.934  -0.205  0.00  0.00    +0.150 A 
ATOM     21  F   LIG    1        5.064  -0.982   1.129  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        6.425  -0.683  -0.763  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        6.566  -0.623  -2.151  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        5.454  -0.813  -2.976  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.200  -1.064  -2.415  0.00  0.00    +0.031 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 6