REMARK  Name = BDB056584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.935   0.099   0.670  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.961   1.210  -0.096  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        2.127   1.660  -0.624  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        3.322   0.975  -0.393  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.280  -0.175   0.390  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1        4.563  -0.666   0.463  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1        4.837  -1.499   0.964  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        5.417   0.139  -0.243  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        4.677   1.166  -0.786  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.088  -0.645   0.942  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        6.936  -0.088  -0.390  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        7.657  -1.119   0.159  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        8.951  -0.915  -0.233  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        9.768  -1.477  -0.018  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        9.116   0.178  -0.996  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        7.882   0.683  -1.091  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.279  -0.379   1.229  0.00  0.00    -0.299 N 
ATOM     18  H   LIG    1       -0.133  -0.566   2.214  0.00  0.00    +0.154 HD
BRANCH  17  22
ATOM     19  C   LIG    1       -4.299   0.679   0.471  0.00  0.00    +0.106 A 
ATOM     20  C   LIG    1       -3.938   0.091   1.684  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1       -2.600  -0.240   1.917  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -1.602   0.043   0.969  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -1.994   0.621  -0.246  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -3.329   0.962  -0.490  0.00  0.00    +0.030 A 
BRANCH  19  25
ATOM     25  S   LIG    1       -5.997   1.125   0.173  0.00  0.00    +0.060 S 
ATOM     26  O   LIG    1       -6.645   1.244   1.463  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1       -6.000   2.227  -0.766  0.00  0.00    -0.153 OA
BRANCH  25  29
ATOM     28  C   LIG    1       -6.768  -1.471   0.198  0.00  0.00    +0.131 C 
ATOM     29  N   LIG    1       -6.626  -0.249  -0.612  0.00  0.00    -0.183 NA
ATOM     30  C   LIG    1       -6.148  -0.511  -1.980  0.00  0.00    +0.131 C 
ENDBRANCH  25  29
ENDBRANCH  19  25
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 5