REMARK  Name = BDB052530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.182  -2.854   1.862  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        0.999  -3.677   2.416  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        4.439  -1.629   0.954  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        3.095  -1.690   1.033  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1        2.557  -2.703   1.721  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        3.294  -3.651   2.326  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        4.632  -3.556   2.227  0.00  0.00    +0.116 A 
ATOM      8  C   LIG    1        5.269  -2.555   1.542  0.00  0.00    +0.049 A 
BRANCH   3  11
ATOM      9  C   LIG    1        5.519   1.704  -0.679  0.00  0.00    +0.159 A 
ATOM     10  S   LIG    1        4.503   1.096   0.569  0.00  0.00    -0.051 S 
ATOM     11  C   LIG    1        4.967  -0.510   0.183  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        5.854  -0.486  -0.881  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        6.482  -1.650  -1.560  0.00  0.00    +0.067 C 
ATOM     14  N   LIG    1        6.170   0.781  -1.348  0.00  0.00    -0.230 NA
BRANCH   9  16
ATOM     15  C   LIG    1        4.615   3.967  -0.761  0.00  0.00    +0.127 C 
ATOM     16  N   LIG    1        5.684   3.017  -0.970  0.00  0.00    -0.327 N 
ATOM     17  H   LIG    1        6.196   3.155  -1.837  0.00  0.00    +0.148 HD
ENDBRANCH   9  16
ENDBRANCH   3  11
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1        0.074  -2.130   1.415  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        0.151  -0.973   0.644  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -1.006  -0.292   0.226  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -2.293  -0.737   0.552  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -2.360  -1.899   1.331  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -1.207  -2.580   1.752  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  N   LIG    1       -3.437  -0.065   0.147  0.00  0.00    -0.327 N 
ATOM     25  C   LIG    1       -3.378   1.308  -0.374  0.00  0.00    +0.124 C 
ATOM     26  C   LIG    1       -4.740   2.017  -0.242  0.00  0.00    +0.126 C 
ATOM     27  N   LIG    1       -5.848   1.273  -0.851  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1       -7.069   1.824  -1.194  0.00  0.00    +0.213 C 
ATOM     29  O   LIG    1       -7.959   1.178  -1.746  0.00  0.00    -0.276 OA
ATOM     30  C   LIG    1       -7.275   3.283  -0.871  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1       -5.613  -0.153  -1.087  0.00  0.00    +0.126 C 
ATOM     32  C   LIG    1       -4.709  -0.796  -0.019  0.00  0.00    +0.124 C 
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 5