REMARK  Name = BDB019814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.468   0.208   0.863  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.664  -1.154   1.047  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.033  -1.825   0.717  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.415   0.988   0.949  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -2.631   3.998  -0.142  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.424   2.526   0.069  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1       -1.145   2.039   0.368  0.00  0.00    +0.141 A 
ATOM      8  F   LIG    1       -0.151   2.933   0.477  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -0.910   0.674   0.547  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -1.986  -0.213   0.413  0.00  0.00    +0.164 A 
ATOM     11  F   LIG    1       -1.750  -1.525   0.575  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -3.279   0.246   0.104  0.00  0.00    +0.102 A 
ATOM     13  C   LIG    1       -3.487   1.624  -0.073  0.00  0.00    +0.037 A 
BRANCH  12  14
ATOM     14  N   LIG    1       -4.362  -0.669  -0.030  0.00  0.00    -0.237 N 
ATOM     15  N   LIG    1       -4.198  -1.998   0.172  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1       -5.399  -2.537  -0.033  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1       -6.363  -1.579  -0.364  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -5.677  -0.387  -0.354  0.00  0.00    +0.114 A 
ENDBRANCH  12  14
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1        2.121  -1.620   0.942  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.756  -0.903   1.319  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.604  -2.076  -0.646  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        2.894  -3.494  -0.623  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        1.652  -1.521  -1.589  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.132  -1.191  -0.819  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        4.100   0.179  -1.094  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.298   0.878  -1.233  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.516   0.208  -1.107  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.542  -1.163  -0.844  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.348  -1.869  -0.701  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 5