REMARK  Name = BDB023187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.964  -1.050   0.770  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.742  -1.397   1.329  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.247  -1.419   1.391  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        0.198  -2.163   2.360  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.437  -0.756   0.904  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        2.654  -1.277   1.265  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.618  -0.503   0.699  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.041   0.536  -0.013  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.897   1.435  -0.659  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.283   1.265  -0.571  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.842   0.210   0.166  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.401   2.459  -1.367  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.993  -0.707   0.811  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.639   0.377   0.134  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        7.244   0.049   0.232  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        8.246   1.068   0.083  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        9.234   0.064   0.684  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.993  -0.634   1.250  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.278  -1.555  -0.805  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -0.061  -2.090  -1.371  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.489  -2.342  -0.743  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.758   0.730  -1.240  0.00  0.00    +0.160 A 
ATOM     23  C   LIG    1       -1.650  -0.030  -1.616  0.00  0.00    +0.151 A 
ATOM     24  C   LIG    1       -0.813   0.419  -2.645  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -1.068   1.644  -3.264  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.155   2.419  -2.861  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -2.999   1.968  -1.845  0.00  0.00    +0.048 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -3.599   0.313  -0.201  0.00  0.00    -0.409 OA
BRANCH  28  30
ATOM     29  N   LIG    1       -5.709  -0.384   0.464  0.00  0.00    -0.268 N 
ATOM     30  C   LIG    1       -4.888  -0.045  -0.605  0.00  0.00    +0.408 C 
ATOM     31  O   LIG    1       -5.264  -0.047  -1.773  0.00  0.00    -0.226 OA
BRANCH  29  33
ATOM     32  C   LIG    1       -4.760  -1.669   2.345  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -5.278  -0.326   1.858  0.00  0.00    +0.108 C 
ENDBRANCH  29  33
BRANCH  29  34
ATOM     34  C   LIG    1       -7.075  -0.816   0.186  0.00  0.00    +0.108 C 
ATOM     35  C   LIG    1       -8.042   0.357   0.158  0.00  0.00    +0.024 C 
ENDBRANCH  29  34
ENDBRANCH  28  30
ENDBRANCH  22  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8