REMARK  Name = BDB002607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.402   2.516  -2.034  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1        0.309   2.220  -3.003  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        2.533  -0.096  -0.409  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1        1.597   0.481  -1.301  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        0.894  -0.375  -2.323  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1        1.361   1.867  -1.203  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        2.025   2.640  -0.244  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.938   2.059   0.630  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        3.193   0.695   0.547  0.00  0.00    +0.015 A 
BRANCH   3  10
ATOM     10  C   LIG    1        2.866  -1.545  -0.475  0.00  0.00    +0.339 C 
ATOM     11  O   LIG    1        2.965  -2.185  -1.508  0.00  0.00    -0.245 OA
BRANCH  10  13
ATOM     12  C   LIG    1        3.284  -3.429   0.840  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        3.007  -2.029   0.785  0.00  0.00    -0.464 OA
ENDBRANCH  10  13
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  S   LIG    1       -1.052   3.059  -1.367  0.00  0.00    +0.072 S 
ATOM     15  O   LIG    1       -0.778   4.003  -0.306  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -1.895   3.416  -2.490  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -1.735   1.591  -0.628  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -1.385   1.256   0.684  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1       -1.894   0.090   1.261  0.00  0.00    +0.163 A 
ATOM     20  C   LIG    1       -2.789  -0.721   0.528  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -3.154  -0.352  -0.773  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1       -2.631   0.805  -1.353  0.00  0.00    +0.032 A 
BRANCH  19  23
ATOM     23  O   LIG    1       -1.587  -0.343   2.527  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -0.601   0.381   3.250  0.00  0.00    +0.277 C 
ENDBRANCH  19  23
BRANCH  20  25
ATOM     25  O   LIG    1       -3.242  -1.847   1.169  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -4.192  -2.656   0.492  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 7