REMARK  Name = BDB057362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.731  -0.003  -0.326  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        3.019   1.117  -0.509  0.00  0.00    -0.204 NA
ATOM      3  C   LIG    1        1.670   1.045  -0.399  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        1.045   2.280  -0.526  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1        1.745   3.005  -0.632  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -0.094   2.663   0.070  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -1.174   1.821   0.398  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -1.427   0.489   0.105  0.00  0.00    -0.241 NA
ATOM      9  C   LIG    1       -0.470  -0.346  -0.153  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -2.103   2.623   1.016  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -3.443   2.336   1.569  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1       -1.542   3.868   1.025  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1       -1.934   4.726   1.397  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1       -0.329   3.924   0.447  0.00  0.00    -0.154 NA
ATOM     15  C   LIG    1        1.011  -0.148  -0.163  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        1.849  -1.235   0.032  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        3.194  -1.193  -0.046  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.979  -1.711  -0.505  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -1.730  -2.466   0.412  0.00  0.00    +0.064 A 
ATOM     20  C   LIG    1       -2.216  -3.721  -0.002  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -1.955  -4.204  -1.286  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -1.216  -3.439  -2.185  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -0.733  -2.189  -1.802  0.00  0.00    +0.010 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -2.024  -1.971   1.806  0.00  0.00    +0.418 C 
ATOM     25  F   LIG    1       -0.961  -1.355   2.395  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.073  -1.109   1.873  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.346  -2.993   2.656  0.00  0.00    -0.166 F 
ENDBRANCH  19  24
ENDBRANCH   9  18
BRANCH   1  29
ATOM     28  C   LIG    1        5.763   1.845  -0.491  0.00  0.00    +0.093 C 
ATOM     29  S   LIG    1        5.499   0.056  -0.466  0.00  0.00    -0.089 S 
ENDBRANCH   1  29
TORSDOF 3