REMARK  Name = BDB061122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.525  -0.002   0.054  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -3.163  -0.562   1.234  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -1.797  -0.808   1.551  0.00  0.00    +0.139 A 
ATOM      4  N   LIG    1       -0.841  -0.472   0.597  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1        0.389  -0.820   1.129  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1        0.100  -1.307   2.390  0.00  0.00    +0.140 A 
ATOM      7  C   LIG    1       -1.177   0.116  -0.621  0.00  0.00    +0.094 A 
ATOM      8  N   LIG    1       -1.248  -1.310   2.637  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -2.468   0.354  -0.908  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -8.473  -0.218  -0.225  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -7.090   0.154  -0.395  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1       -6.776   1.186  -1.198  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1       -5.444   1.250  -1.119  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1       -4.900   0.256  -0.274  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.003  -0.437   0.181  0.00  0.00    +0.116 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1        1.658  -0.681   0.479  0.00  0.00    +0.038 A 
ATOM     17  S   LIG    1        2.974   0.078   1.267  0.00  0.00    -0.087 S 
ATOM     18  C   LIG    1        4.021  -0.156  -0.072  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        3.366  -0.807  -1.101  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        2.012  -1.118  -0.780  0.00  0.00    +0.018 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.406   0.333  -0.031  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        6.230   0.110   1.081  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        7.545   0.577   1.087  0.00  0.00    +0.042 A 
ATOM     24 CL   LIG    1        8.545   0.294   2.460  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        8.060   1.267  -0.008  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        7.253   1.491  -1.122  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.935   1.024  -1.133  0.00  0.00    +0.009 A 
ENDBRANCH  18  21
ENDBRANCH   5  16
TORSDOF 3