REMARK  Name = BDB034920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.283  -0.383  -0.632  0.00  0.00    -0.136 NA
ATOM      2  C   LIG    1       -0.848  -1.198   0.198  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -2.182  -1.204   0.621  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.459  -2.117   1.628  0.00  0.00    +0.101 A 
ATOM      5  C   LIG    1       -1.434  -2.889   2.007  0.00  0.00    +0.066 A 
ATOM      6  S   LIG    1        0.011  -2.499   1.111  0.00  0.00    -0.060 S 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.447  -1.446  -1.670  0.00  0.00    -0.247 OA
ATOM      8  C   LIG    1        1.049  -0.570  -0.909  0.00  0.00    +0.345 C 
ATOM      9  N   LIG    1        2.021   0.294  -0.332  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        3.406   0.237  -0.478  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        3.948   1.274   0.283  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        5.277   1.520   0.380  0.00  0.00    -0.253 NA
ATOM     13  C   LIG    1        6.064   0.681  -0.323  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        5.619  -0.373  -1.104  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        2.890   1.973   0.896  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        4.253  -0.620  -1.196  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        1.722   1.362   0.508  0.00  0.00    +0.098 A 
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -3.140  -0.268   0.147  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1       -3.500  -0.168  -1.212  0.00  0.00    +0.065 A 
ATOM     20 CL   LIG    1       -2.904  -1.273  -2.404  0.00  0.00    -0.081 Cl
ATOM     21  C   LIG    1       -4.430   0.788  -1.636  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -5.022   1.650  -0.715  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.694   1.554   0.634  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.766   0.602   1.061  0.00  0.00    +0.028 A 
ENDBRANCH   3  18
TORSDOF 2