REMARK  Name = BDB029758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.399  -0.697   0.473  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        1.291  -0.703  -0.392  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.258  -1.644  -0.248  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.341  -2.585   0.775  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -0.635  -3.492   0.945  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        1.436  -2.591   1.639  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1        1.538  -3.754   2.906  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1        2.461  -1.654   1.493  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.551   2.011   0.821  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        5.263   1.490   0.439  0.00  0.00    -0.339 N 
ATOM     11  C   LIG    1        4.632   0.403   0.977  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        3.442   0.301   0.286  0.00  0.00    +0.089 A 
ATOM     13  N   LIG    1        3.351   1.305  -0.651  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        4.459   2.002  -0.535  0.00  0.00    +0.199 A 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1       -0.885  -1.589  -1.197  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -1.891  -2.524  -1.050  0.00  0.00    -0.228 N 
ATOM     17  H   LIG    1       -1.985  -3.123  -0.228  0.00  0.00    +0.171 HD
ATOM     18  O   LIG    1       -0.943  -0.723  -2.068  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -3.131  -2.340  -1.886  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.948  -1.894  -2.795  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -4.462  -1.604  -1.091  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -4.509  -2.196   0.234  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -5.582  -1.756  -1.998  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.068   0.140  -0.967  0.00  0.00    +0.149 C 
ATOM     25  C   LIG    1       -3.199   0.580   0.236  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1       -4.091   1.835   0.325  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -5.197   1.010  -0.361  0.00  0.00    +0.028 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   3  15
TORSDOF 5