REMARK  Name = BDB056606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.091  -2.388  -0.742  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.017  -3.353  -1.045  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        5.443   0.087  -0.269  0.00  0.00    +0.050 A 
ATOM      4  N   LIG    1        4.132   0.359   0.022  0.00  0.00    -0.354 N 
ATOM      5  H   LIG    1        3.798   1.206   0.457  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1        3.332  -0.690  -0.370  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        4.166  -1.664  -0.914  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1        3.585  -2.849  -1.370  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1        2.243  -3.034  -1.288  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1        1.448  -2.067  -0.780  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        1.951  -0.868  -0.283  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1        5.495  -1.161  -0.849  0.00  0.00    +0.037 A 
BRANCH   3  17
ATOM     13  C   LIG    1       10.059   2.104   0.083  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        8.635   1.885   0.160  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.846   2.836   0.697  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.620   2.311   0.609  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1        6.628   1.033   0.019  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1        7.949   0.782  -0.262  0.00  0.00    +0.118 A 
ENDBRANCH   3  17
ENDBRANCH   1  10
BRANCH   1  19
ATOM     19  C   LIG    1       -1.094  -1.637  -0.870  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -2.337  -2.236  -0.562  0.00  0.00    +0.063 A 
ATOM     21 CL   LIG    1       -2.426  -3.904  -0.102  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -3.534  -1.518  -0.621  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -3.506  -0.169  -0.973  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -2.296   0.440  -1.312  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -1.103  -0.288  -1.250  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -4.755   0.619  -1.070  0.00  0.00    +0.247 C 
ATOM     27  N   LIG    1       -5.652   0.619   0.004  0.00  0.00    -0.294 N 
ATOM     28  C   LIG    1       -5.290   0.226   1.375  0.00  0.00    +0.130 C 
ATOM     29  C   LIG    1       -5.870   1.156   2.418  0.00  0.00    +0.185 C 
ATOM     30  S   LIG    1       -7.645   1.070   2.388  0.00  0.00    -0.028 S 
ATOM     31  O   LIG    1       -8.040  -0.093   3.160  0.00  0.00    -0.174 OA
ATOM     32  O   LIG    1       -8.152   2.388   2.719  0.00  0.00    -0.174 OA
ATOM     33  C   LIG    1       -8.033   0.743   0.684  0.00  0.00    +0.185 C 
ATOM     34  C   LIG    1       -6.942   1.287  -0.208  0.00  0.00    +0.130 C 
ATOM     35  O   LIG    1       -4.957   1.242  -2.108  0.00  0.00    -0.270 OA
ENDBRANCH  23  26
ENDBRANCH   1  19
TORSDOF 4