REMARK  Name = BDB062829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.536  -0.226  -0.946  0.00  0.00    -0.245 N 
ATOM      2  C   LIG    1       -1.429  -1.486  -0.431  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -0.120  -1.614  -0.004  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1        0.229  -2.856   0.535  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1       -0.721  -3.811   0.627  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1       -1.960  -3.558   0.181  0.00  0.00    +0.216 A 
ATOM      7  C   LIG    1        0.478  -0.349  -0.278  0.00  0.00    +0.105 A 
ATOM      8  N   LIG    1       -2.396  -2.414  -0.353  0.00  0.00    -0.195 NA
ATOM      9  N   LIG    1       -0.392   0.483  -0.879  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.839   0.103   0.006  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        2.577   0.749  -1.006  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        3.878   1.177  -0.714  0.00  0.00    +0.112 A 
ATOM     13  C   LIG    1        4.387   0.960   0.556  0.00  0.00    +0.157 A 
ATOM     14  O   LIG    1        5.656   1.461   0.585  0.00  0.00    -0.425 OA
ATOM     15  C   LIG    1        5.833   1.962  -0.670  0.00  0.00    +0.286 A 
ATOM     16  C   LIG    1        3.700   0.342   1.591  0.00  0.00    +0.049 A 
ATOM     17  N   LIG    1        4.819   1.808  -1.487  0.00  0.00    -0.196 NA
ATOM     18  C   LIG    1        2.399  -0.083   1.285  0.00  0.00    +0.014 A 
BRANCH  15  19
ATOM     19  N   LIG    1        7.019   2.519  -0.920  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        7.264   2.592  -1.900  0.00  0.00    +0.147 HD
ATOM     21  H   LIG    1        7.785   2.234  -0.323  0.00  0.00    +0.147 HD
ENDBRANCH  15  19
ENDBRANCH   7  10
BRANCH   6  22
ATOM     22  N   LIG    1       -2.885  -4.574   0.323  0.00  0.00    -0.327 N 
ATOM     23  H   LIG    1       -2.594  -5.197   1.063  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -3.818  -4.192   0.377  0.00  0.00    +0.145 HD
ENDBRANCH   6  22
BRANCH   4  25
ATOM     25  N   LIG    1        1.501  -3.202   0.973  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1        1.570  -4.211   1.065  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        2.256  -2.768   0.457  0.00  0.00    +0.144 HD
ENDBRANCH   4  25
BRANCH   1  28
ATOM     28  C   LIG    1       -2.724   0.368  -1.545  0.00  0.00    +0.154 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -3.760   0.893   0.727  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1       -3.408   1.431  -0.665  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -2.699   2.828  -0.615  0.00  0.00    +0.078 C 
ATOM     32  S   LIG    1       -3.679   3.401  -2.042  0.00  0.00    -0.159 S 
ATOM     33  C   LIG    1       -4.671   2.039  -1.362  0.00  0.00    +0.078 C 
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 6