REMARK  Name = BDB034906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.063   2.069  -1.345  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -1.075   2.069  -0.552  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.590   1.156   0.360  0.00  0.00    -0.278 N 
ATOM      4  C   LIG    1       -2.727   1.666   1.142  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -3.404   2.748   0.314  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -2.029   3.569  -0.531  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.735  -0.215   0.045  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1       -2.379  -0.656  -1.122  0.00  0.00    +0.145 A 
ATOM      9  F   LIG    1       -2.919   0.237  -1.964  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -2.507  -2.012  -1.411  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.992  -2.957  -0.526  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.359  -2.541   0.646  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.236  -1.179   0.933  0.00  0.00    +0.026 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1        0.613   0.031  -2.137  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        0.725   0.952  -1.336  0.00  0.00    +0.271 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.749   0.965  -0.288  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        2.563  -0.139   0.129  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        3.380   0.316   1.158  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        4.294  -0.384   1.854  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1        4.386  -1.673   1.452  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        3.637  -2.262   0.442  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        3.104   1.637   1.365  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1        3.576   2.204   2.054  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        2.699  -1.489  -0.242  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        2.117   2.045   0.507  0.00  0.00    +0.098 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 3