REMARK  Name = BDB015543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.047  -0.675  -0.936  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -1.464   0.598  -0.737  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.574   1.591  -0.933  0.00  0.00    +0.223 A 
ATOM      4  C   LIG    1        0.720   1.389  -1.381  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        1.138   0.080  -1.563  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        0.244  -0.966  -1.362  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -5.874  -2.247  -0.991  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -4.415  -2.446  -0.737  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.997  -3.779  -0.198  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -4.837  -4.654  -0.002  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -2.634  -3.930   0.056  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -2.150  -5.191   0.598  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -1.712  -2.924  -0.189  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.068  -1.729  -0.701  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.483  -1.506  -0.959  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        2.490  -0.166  -1.945  0.00  0.00    -0.220 N 
ATOM     17  H   LIG    1        2.998   0.572  -2.435  0.00  0.00    +0.173 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.491  -1.085  -0.943  0.00  0.00    +0.045 S 
ATOM     19  O   LIG    1        2.832  -2.341  -0.655  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        4.795  -1.054  -1.570  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.570  -0.107   0.581  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        4.173   1.272   0.338  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        4.378  -0.864   1.632  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  24
ATOM     24  O   LIG    1       -1.064   2.862  -0.738  0.00  0.00    -0.435 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.436   3.673   0.182  0.00  0.00    +0.166 A 
ATOM     26  C   LIG    1        0.288   3.239   1.300  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1        0.461   1.934   1.556  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        0.859   4.153   2.179  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1        0.694   5.511   1.946  0.00  0.00    +0.126 A 
ATOM     30  F   LIG    1        1.242   6.396   2.788  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -0.034   5.968   0.852  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -0.605   5.047  -0.029  0.00  0.00    +0.052 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6