REMARK  Name = BDB049259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.148  -0.402  -0.285  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.939  -1.558  -0.531  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.304  -1.407  -0.478  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.818  -2.636  -0.777  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.842  -3.495  -0.968  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.938  -0.194  -0.178  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.205   0.863   0.053  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.654  -2.814  -0.815  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.832   0.729   0.001  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.165  -0.363  -0.279  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.447   0.635  -0.951  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.049   0.628  -0.956  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.334  -0.376  -0.285  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.056  -1.383   0.371  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.455  -1.377   0.376  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.679  -0.365  -0.293  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -6.048   1.007   1.676  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.273   0.878   0.234  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -7.709   0.904  -0.049  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.315  -0.150  -0.135  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        4.817  -1.011   0.049  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.011   1.021   0.372  0.00  0.00    +0.147 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.505   0.887   0.280  0.00  0.00    +0.007 A 
ATOM     24  S   LIG    1        7.376   0.090   1.522  0.00  0.00    -0.100 S 
ATOM     25  C   LIG    1        8.866   0.335   0.720  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        8.707   1.003  -0.473  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        7.342   1.320  -0.730  0.00  0.00    +0.013 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6