REMARK  Name = BDB057361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.555  -1.241  -0.428  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1        3.331  -0.120  -1.127  0.00  0.00    -0.204 NA
ATOM      3  C   LIG    1        2.135   0.498  -0.984  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        2.049   1.704  -1.673  0.00  0.00    -0.321 N 
ATOM      5  H   LIG    1        2.939   1.894  -2.120  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        1.365   2.788  -1.271  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1        0.156   2.773  -0.544  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -0.694   1.731  -0.195  0.00  0.00    -0.241 NA
ATOM      9  C   LIG    1       -0.265   0.511  -0.087  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1       -0.170   4.090  -0.331  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1       -1.327   4.732   0.328  0.00  0.00    +0.067 C 
ATOM     12  N   LIG    1        0.835   4.801  -0.923  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1        0.936   5.809  -0.981  0.00  0.00    +0.189 HD
ATOM     14  N   LIG    1        1.774   4.037  -1.505  0.00  0.00    -0.154 NA
ATOM     15  C   LIG    1        1.125  -0.025  -0.199  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        1.477  -1.169   0.500  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        2.669  -1.794   0.407  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.355  -0.482   0.191  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.525  -1.601  -0.631  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -2.551  -2.509  -0.360  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -3.427  -2.300   0.719  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -3.250  -1.166   1.529  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -2.225  -0.255   1.261  0.00  0.00    +0.010 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.524  -3.294   1.020  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1       -4.106  -4.278   1.863  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -4.993  -3.925  -0.091  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -5.611  -2.728   1.614  0.00  0.00    -0.166 F 
ENDBRANCH  21  24
ENDBRANCH   9  18
BRANCH   1  29
ATOM     28  C   LIG    1        5.060  -3.300   0.611  0.00  0.00    +0.093 C 
ATOM     29  S   LIG    1        5.139  -2.008  -0.653  0.00  0.00    -0.089 S 
ENDBRANCH   1  29
TORSDOF 3