REMARK  Name = BDB023163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.622  -0.652   1.483  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.754  -0.050   0.871  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.000   1.086   0.098  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -0.240   1.508  -0.429  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.639  -0.439   0.838  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.526   0.293   0.086  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.751  -0.286   0.232  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.666  -1.389   1.067  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.841  -2.106   1.316  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.045  -1.697   0.734  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.107  -0.569  -0.098  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.826  -3.187   2.108  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.931   0.154  -0.368  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.304  -1.483   1.454  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.330  -0.180  -0.687  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.698   1.131  -1.144  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.142   0.623  -1.177  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.655  -0.456  -0.203  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -2.469   1.815  -0.092  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -2.257   2.859  -1.075  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.994   2.147   1.211  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.450   0.548  -0.886  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -4.497  -0.161  -0.263  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1       -5.169  -1.141  -1.023  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.830  -1.397  -2.353  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.809  -0.679  -2.960  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.123   0.291  -2.233  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.964   0.043   1.160  0.00  0.00    +0.046 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.916   1.225   1.353  0.00  0.00    +0.118 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.328   0.937   0.897  0.00  0.00    +0.390 C 
ATOM     31  F   LIG    1       -8.144   1.968   1.212  0.00  0.00    -0.171 F 
ATOM     32  F   LIG    1       -7.824  -0.168   1.497  0.00  0.00    -0.171 F 
ATOM     33  F   LIG    1       -7.409   0.755  -0.436  0.00  0.00    -0.171 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 7