REMARK  Name = BDB023184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.250  -3.167  -1.158  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.225  -1.945  -1.176  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1        0.875  -1.216  -1.662  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1        0.964  -0.247  -1.345  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.311  -1.102  -0.708  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -2.406  -1.724  -0.158  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -3.292  -0.761   0.208  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.789   0.492  -0.096  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.579   1.603   0.222  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.829   1.422   0.821  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.321   0.140   1.109  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -3.148   2.845  -0.042  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.532  -0.984   0.807  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.517   0.269  -0.685  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.581  -0.021   1.727  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.697   0.882   1.673  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -8.549  -0.276   2.204  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -7.429  -1.179   1.679  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1        2.343  -1.959  -1.922  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        2.188  -2.944  -2.969  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.939  -2.288  -0.646  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.341  -0.650  -2.606  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        3.680   0.470  -1.842  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        4.480   1.481  -2.391  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        4.975   1.347  -3.689  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.659   0.216  -4.444  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.842  -0.782  -3.907  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1        3.095   0.688  -0.510  0.00  0.00    +0.249 C 
ATOM     29  N   LIG    1        3.905   0.612   0.607  0.00  0.00    -0.293 N 
ATOM     30  C   LIG    1        5.294   0.129   0.600  0.00  0.00    +0.136 C 
ATOM     31  C   LIG    1        5.989   0.417   1.935  0.00  0.00    +0.179 C 
ATOM     32  O   LIG    1        5.324  -0.154   3.069  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        3.912  -0.338   2.887  0.00  0.00    +0.179 C 
ATOM     34  C   LIG    1        3.288   0.687   1.935  0.00  0.00    +0.136 C 
ATOM     35  O   LIG    1        1.884   0.906  -0.492  0.00  0.00    -0.270 OA
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 5