REMARK  Name = BDB059247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.119   0.244  -2.076  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.170  -0.485  -1.088  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -1.369  -0.857  -0.503  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.383  -1.051   0.502  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.072  -0.984  -0.444  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        2.263  -0.269  -0.655  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        3.482  -0.687  -0.087  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        3.468  -1.855   0.691  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        2.287  -2.566   0.887  0.00  0.00    +0.125 A 
ATOM     10  F   LIG    1        2.307  -3.686   1.620  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        1.088  -2.147   0.327  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  C   LIG    1        4.725   0.068  -0.329  0.00  0.00    +0.092 A 
ATOM     13  N   LIG    1        5.537   0.439   0.755  0.00  0.00    -0.139 N 
ATOM     14  O   LIG    1        5.248   0.154   1.964  0.00  0.00    -0.164 OA
ATOM     15  C   LIG    1        6.704   1.156   0.505  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1        7.091   1.517  -0.782  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1        6.293   1.153  -1.855  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        5.119   0.436  -1.634  0.00  0.00    +0.030 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  N   LIG    1       -2.602  -0.054  -0.989  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -2.324   0.571  -1.765  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.296   0.927   0.244  0.00  0.00    +0.076 S 
ATOM     22  O   LIG    1       -3.013   2.288  -0.152  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -2.853   0.363   1.504  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.018   0.625   0.086  0.00  0.00    +0.142 A 
ATOM     25  C   LIG    1       -5.893   1.535   0.663  0.00  0.00    +0.150 A 
ATOM     26  F   LIG    1       -5.442   2.595   1.345  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1       -7.269   1.352   0.555  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -7.770   0.247  -0.134  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -6.892  -0.673  -0.711  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.512  -0.488  -0.603  0.00  0.00    +0.031 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5