REMARK  Name = BDB061028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.424   2.183   2.794  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -2.358   2.114   1.731  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1       -2.275   1.051   0.810  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -1.270   1.080  -0.162  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -0.325   2.119  -0.204  0.00  0.00    +0.110 A 
ATOM      6  C   LIG    1       -0.369   3.162   0.735  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        0.612   4.300   0.763  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -1.405   3.149   1.682  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   9
ATOM      9  N   LIG    1       -3.220  -0.000   0.891  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1       -3.953   0.110   1.578  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -3.195  -1.217   0.214  0.00  0.00    +0.239 C 
ATOM     12  O   LIG    1       -2.297  -1.611  -0.526  0.00  0.00    -0.273 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -4.434  -2.066   0.531  0.00  0.00    +0.243 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -4.441  -3.290  -0.258  0.00  0.00    -0.219 N 
ATOM     15  C   LIG    1       -3.692  -4.378   0.186  0.00  0.00    +0.288 A 
ATOM     16  O   LIG    1       -3.136  -4.399   1.284  0.00  0.00    -0.265 OA
ATOM     17  C   LIG    1       -3.610  -5.538  -0.747  0.00  0.00    +0.126 A 
ATOM     18 CL   LIG    1       -2.694  -6.906  -0.221  0.00  0.00    -0.076 Cl
ATOM     19  C   LIG    1       -4.234  -5.491  -1.924  0.00  0.00    +0.084 A 
ATOM     20 CL   LIG    1       -4.249  -6.736  -3.103  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1       -4.993  -4.271  -2.231  0.00  0.00    +0.154 A 
ATOM     22  N   LIG    1       -5.105  -3.238  -1.462  0.00  0.00    -0.175 NA
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   3   9
BRANCH   5  23
ATOM     23  S   LIG    1        0.902   2.059  -1.504  0.00  0.00    +0.059 S 
ATOM     24  O   LIG    1        0.519   1.053  -2.470  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        1.191   3.413  -1.922  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        2.239   1.502  -0.669  0.00  0.00    -0.190 NA
ATOM     27  H   LIG    1        3.101   2.033  -0.856  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1        2.428   0.052  -0.515  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.590  -0.229   0.442  0.00  0.00    +0.072 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.930   0.176  -0.128  0.00  0.00    +0.043 A 
ATOM     31  N   LIG    1        5.073   1.472  -0.510  0.00  0.00    -0.260 NA
ATOM     32  C   LIG    1        6.279   1.853  -0.989  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1        7.363   1.003  -1.103  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        7.205  -0.318  -0.702  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        5.974  -0.742  -0.205  0.00  0.00    +0.023 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   5  23
TORSDOF 8