REMARK  Name = BDB023195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.250  -0.166  -1.764  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.842   0.220  -2.605  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.498  -0.462  -0.624  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.012  -0.780   0.437  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.930  -0.311  -0.827  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.742  -0.404   0.277  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        3.026  -0.234  -0.135  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.066  -0.029  -1.503  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.319   0.169  -2.094  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.473   0.152  -1.305  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.407  -0.069   0.079  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.424   0.380  -3.413  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.152  -0.257   0.688  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.717  -0.082  -1.946  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.583  -0.070   0.861  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.917  -0.377   0.424  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.281  -0.506   1.906  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.780  -0.712   2.131  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.900  -0.346  -1.877  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.259   0.312  -3.118  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.150  -1.761  -1.713  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.253   2.026  -0.444  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1       -3.562   0.643  -0.542  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -4.392   0.035   0.422  0.00  0.00    +0.148 A 
ATOM     25  C   LIG    1       -4.885   0.794   1.490  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.547   2.136   1.621  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.748   2.746   0.662  0.00  0.00    +0.006 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -3.421   3.593  -2.407  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -2.489   2.832  -1.472  0.00  0.00    +0.034 C 
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -4.801  -1.254   0.234  0.00  0.00    -0.487 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -4.859  -2.128   1.370  0.00  0.00    +0.167 C 
ATOM     32  C   LIG    1       -3.465  -2.447   1.903  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.537  -3.410   0.891  0.00  0.00    +0.051 C 
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7