REMARK  Name = BDB023148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.323  -1.564   0.541  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.875  -2.465   0.650  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.610  -0.371   0.377  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.169   0.690   0.144  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.828  -0.542   0.457  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.614   0.539   0.144  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.913   0.165   0.282  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.988  -1.158   0.683  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.261  -1.706   0.878  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.399  -0.923   0.662  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.295   0.413   0.245  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        4.400  -2.981   1.270  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.022   0.980   0.058  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.646  -1.609   0.796  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.457   1.192   0.047  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.775   0.725  -0.280  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.106   2.175  -0.644  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        6.591   2.359  -0.779  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.969  -1.629   0.758  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1       -3.283  -0.723   1.837  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.278  -3.040   0.833  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.883  -0.324  -0.771  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -3.675  -1.040  -0.761  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -2.966  -1.264  -1.956  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -3.431  -0.734  -3.158  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.599   0.020  -3.176  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.317   0.221  -1.995  0.00  0.00    +0.015 A 
BRANCH  22  31
ATOM     28  C   LIG    1       -8.029   1.293   2.640  0.00  0.00    +0.091 C 
ATOM     29  C   LIG    1       -7.129   0.444   1.839  0.00  0.00    +0.169 A 
ATOM     30  N   LIG    1       -6.441   0.918   0.752  0.00  0.00    -0.192 NA
ATOM     31  C   LIG    1       -5.749  -0.138   0.384  0.00  0.00    +0.260 A 
ATOM     32  O   LIG    1       -6.027  -1.250   1.130  0.00  0.00    -0.333 OA
ATOM     33  N   LIG    1       -6.945  -0.855   2.106  0.00  0.00    -0.061 NA
ENDBRANCH  22  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5