REMARK  Name = BDB061291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.764  -0.966   1.499  0.00  0.00    +0.013 A 
ATOM      2  S   LIG    1        2.051  -0.156   0.708  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1        3.073  -1.483   1.014  0.00  0.00    +0.166 A 
ATOM      4  N   LIG    1        2.523  -2.497   1.641  0.00  0.00    -0.233 NA
ATOM      5  C   LIG    1        1.205  -2.200   1.930  0.00  0.00    +0.124 A 
ENDROOT
BRANCH   3   6
ATOM      6  N   LIG    1        4.379  -1.542   0.601  0.00  0.00    -0.248 N 
ATOM      7  H   LIG    1        4.833  -2.395   0.880  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        5.138  -0.508   0.092  0.00  0.00    +0.310 C 
ATOM      9  N   LIG    1        6.388  -0.980  -0.294  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        6.483  -1.983  -0.347  0.00  0.00    +0.156 HD
ATOM     11  O   LIG    1        4.776   0.656  -0.012  0.00  0.00    -0.252 OA
BRANCH   9  12
ATOM     12  C   LIG    1        7.481  -0.229  -0.778  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        7.526   1.166  -0.799  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        8.658   1.822  -1.289  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1        8.707   3.544  -1.312  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        9.754   1.101  -1.757  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        9.721  -0.290  -1.733  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        8.591  -0.951  -1.243  0.00  0.00    +0.023 A 
ENDBRANCH   9  12
ENDBRANCH   3   6
BRANCH   1  19
ATOM     19  C   LIG    1       -0.584  -0.337   1.640  0.00  0.00    +0.062 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.515  -0.717   0.483  0.00  0.00    +0.108 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.821  -0.079   0.675  0.00  0.00    -0.328 N 
ATOM     22  H   LIG    1       -2.743   0.936   0.660  0.00  0.00    +0.147 HD
BRANCH  21  27
ATOM     23  C   LIG    1       -7.705   1.153  -0.180  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -7.282   0.250  -1.162  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -5.996  -0.277  -1.185  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1       -5.090   0.120  -0.192  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -3.801  -0.443  -0.281  0.00  0.00    +0.130 A 
ATOM     28  N   LIG    1       -3.476  -1.331  -1.236  0.00  0.00    -0.220 NA
ATOM     29  C   LIG    1       -4.430  -1.635  -2.122  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1       -5.517   1.026   0.810  0.00  0.00    +0.017 A 
ATOM     31  N   LIG    1       -5.673  -1.143  -2.150  0.00  0.00    -0.235 NA
ATOM     32  C   LIG    1       -6.815   1.539   0.814  0.00  0.00    +0.046 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -9.484   2.485   0.670  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -9.001   1.571  -0.307  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  21  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7