REMARK  Name = BDB023240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.660  -0.860   1.948  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.129  -1.607   2.380  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.977   0.269   1.470  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.491   1.365   1.319  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.419  -0.012   1.179  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.239   1.052   0.895  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.485   0.565   0.653  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.490  -0.814   0.771  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.701  -1.480   0.552  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.849  -0.751   0.226  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.815   0.646   0.102  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.773  -2.814   0.657  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.606   1.329   0.330  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.160  -1.182   1.107  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.989   1.365  -0.216  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.137   0.884  -0.931  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.549   2.351  -1.087  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.074   2.666  -0.819  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.244  -0.898   2.442  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.822   0.415   2.591  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.220  -1.817   3.566  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.082  -1.213  -0.184  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -4.069  -1.737   1.111  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.715  -2.953   1.389  0.00  0.00    +0.032 A 
ATOM     25  C   LIG    1       -5.348  -3.659   0.367  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.329  -3.160  -0.933  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.692  -1.948  -1.208  0.00  0.00    +0.048 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -3.424  -0.046  -0.445  0.00  0.00    -0.487 OA
BRANCH  28  30
ATOM     29  C   LIG    1       -4.317   2.186  -0.418  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -4.142   0.913  -1.239  0.00  0.00    +0.167 C 
ATOM     31  C   LIG    1       -3.320   1.194  -2.492  0.00  0.00    +0.051 C 
ENDBRANCH  28  30
ENDBRANCH  22  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6