REMARK  Name = BDB065201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.857  -1.294  -3.244  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -0.980  -1.282  -2.025  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        0.225  -2.020  -1.958  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        1.042  -2.074  -0.820  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        2.142  -2.929  -1.137  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.981  -3.369  -2.428  0.00  0.00    +0.083 A 
ATOM      7  C   LIG    1        0.662  -1.357   0.341  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1       -0.522  -0.605   0.296  0.00  0.00    +0.022 A 
ATOM      9  N   LIG    1        0.830  -2.813  -2.917  0.00  0.00    -0.360 N 
ATOM     10  H   LIG    1        0.470  -2.966  -3.849  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.314  -0.551  -0.858  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.488  -1.401   1.551  0.00  0.00    -0.014 A 
ATOM     13  C   LIG    1        2.764  -0.815   1.579  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        3.523  -0.804   2.756  0.00  0.00    +0.149 A 
ATOM     15  C   LIG    1        3.035  -1.429   3.909  0.00  0.00    +0.083 A 
ATOM     16 CL   LIG    1        3.961  -1.485   5.366  0.00  0.00    -0.080 Cl
ATOM     17  C   LIG    1        1.773  -2.025   3.894  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.004  -2.004   2.726  0.00  0.00    +0.010 A 
BRANCH  14  19
ATOM     19  O   LIG    1        4.781  -0.238   2.757  0.00  0.00    -0.435 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.779   1.144   2.846  0.00  0.00    +0.239 A 
ATOM     21  N   LIG    1        4.170   1.864   1.872  0.00  0.00    -0.218 NA
ATOM     22  C   LIG    1        4.253   3.208   2.015  0.00  0.00    +0.134 A 
ATOM     23  C   LIG    1        4.917   3.810   3.075  0.00  0.00    +0.130 A 
ATOM     24  N   LIG    1        5.552   3.093   4.033  0.00  0.00    -0.256 NA
ATOM     25  C   LIG    1        5.471   1.745   3.891  0.00  0.00    +0.178 A 
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   7  12
BRANCH  11  26
ATOM     26  C   LIG    1       -2.507   0.333  -0.765  0.00  0.00    +0.264 C 
ATOM     27  N   LIG    1       -2.639   1.233  -1.829  0.00  0.00    -0.171 N 
ATOM     28  H   LIG    1       -1.807   1.429  -2.378  0.00  0.00    +0.178 HD
ATOM     29  O   LIG    1       -3.267   0.244   0.186  0.00  0.00    -0.269 OA
BRANCH  27  30
ATOM     30  S   LIG    1       -3.633   2.553  -1.856  0.00  0.00    +0.114 S 
ATOM     31  O   LIG    1       -3.300   3.221  -3.098  0.00  0.00    -0.138 OA
ATOM     32  O   LIG    1       -3.521   3.250  -0.597  0.00  0.00    -0.138 OA
BRANCH  30  33
ATOM     33  N   LIG    1       -5.164   1.894  -2.020  0.00  0.00    -0.170 NA
ATOM     34  C   LIG    1       -5.486   1.212  -3.279  0.00  0.00    +0.132 C 
ATOM     35  C   LIG    1       -5.810   1.305  -0.837  0.00  0.00    +0.132 C 
ENDBRANCH  30  33
ENDBRANCH  27  30
ENDBRANCH  11  26
TORSDOF 6