REMARK  Name = BDB019043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.365   1.368   1.012  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1       -1.770   0.303   0.359  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -0.472   0.713   0.119  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.492  -0.090  -0.529  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.163  -1.295  -0.908  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -1.133  -1.714  -0.692  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.342   1.972   0.649  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1       -2.115  -0.998  -0.101  0.00  0.00    +0.030 A 
ATOM      9  N   LIG    1       -1.460   2.405   1.186  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -3.439  -1.636   0.012  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -4.395  -1.622  -1.016  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1       -5.601  -2.260  -0.898  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1       -5.873  -2.883   0.268  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -4.996  -2.932   1.334  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.761  -2.307   1.199  0.00  0.00    +0.012 A 
BRANCH  11  16
ATOM     16  C   LIG    1       -4.125  -0.931  -2.336  0.00  0.00    +0.390 C 
ATOM     17  F   LIG    1       -3.292  -1.655  -3.143  0.00  0.00    -0.202 F 
ATOM     18  F   LIG    1       -3.543   0.300  -2.226  0.00  0.00    -0.202 F 
ENDBRANCH  11  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  C   LIG    1       -4.150   3.137   2.183  0.00  0.00    +0.202 C 
ATOM     20  S   LIG    1       -3.996   1.472   1.596  0.00  0.00    +0.013 S 
ATOM     21  O   LIG    1       -4.039   0.564   2.726  0.00  0.00    -0.168 OA
ATOM     22  O   LIG    1       -4.830   1.304   0.424  0.00  0.00    -0.168 OA
ENDBRANCH   1  20
BRANCH   4  23
ATOM     23  N   LIG    1        1.759   0.419  -0.732  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        1.834   1.426  -0.828  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        2.707  -0.281  -1.583  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.069   0.323  -1.403  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        4.871   0.034  -0.303  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.646  -0.909   0.819  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        5.779  -0.464   1.746  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        6.796   0.203   0.963  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        6.128   0.607  -0.162  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        6.645   1.486  -1.092  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        5.851   1.808  -2.193  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        4.581   1.234  -2.337  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        3.842   1.577  -3.401  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 6