REMARK  Name = BDB049735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.507  -0.917   1.356  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -0.687  -1.534   2.140  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -4.028   0.048   0.726  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -4.028   0.321  -0.594  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1       -2.866   0.197  -1.267  0.00  0.00    +0.115 A 
ATOM      6  C   LIG    1       -1.676  -0.205  -0.689  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.667  -0.522   0.664  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -2.867  -0.384   1.373  0.00  0.00    +0.067 A 
BRANCH   3   9
ATOM      9  N   LIG    1       -5.213   0.147   1.502  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -5.001   0.533   2.415  0.00  0.00    +0.155 HD
BRANCH   9  16
ATOM     11  C   LIG    1       -9.467   0.307  -1.118  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -8.402   0.371  -0.090  0.00  0.00    +0.062 A 
ATOM     13  N   LIG    1       -8.687   0.769   1.156  0.00  0.00    -0.178 NA
ATOM     14  N   LIG    1       -7.503   0.702   1.788  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1       -7.473   0.958   2.766  0.00  0.00    +0.190 HD
ATOM     16  C   LIG    1       -6.466   0.280   0.999  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -7.033   0.048  -0.234  0.00  0.00    +0.068 A 
ENDBRANCH   9  16
ENDBRANCH   3   9
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.856  -0.732   1.075  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        1.341   0.362   0.357  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.707   0.489   0.068  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.636  -0.479   0.481  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.144  -1.579   1.198  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        1.777  -1.702   1.487  0.00  0.00    +0.024 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.064  -0.288   0.142  0.00  0.00    +0.109 A 
ATOM     25  S   LIG    1        6.284  -1.393   0.652  0.00  0.00    -0.067 S 
ATOM     26  C   LIG    1        7.491  -0.451  -0.125  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.885   0.652  -0.726  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1        7.691   1.571  -1.427  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        9.072   1.365  -1.508  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        9.656   0.258  -0.901  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        8.877  -0.669  -0.200  0.00  0.00    +0.017 A 
ATOM     32  N   LIG    1        5.513   0.731  -0.566  0.00  0.00    -0.239 NA
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 5