REMARK  Name = BDB002520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.907   0.005  -0.191  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.176  -0.860   0.637  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        1.000  -1.460   0.182  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        1.455  -1.188  -1.109  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        0.732  -0.338  -1.949  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -0.445   0.260  -1.485  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.974   1.429  -0.261  0.00  0.00    +0.243 C 
ATOM      8  N   LIG    1       -2.079   0.565   0.346  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -2.336   0.296   1.293  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.900   1.897  -1.392  0.00  0.00    -0.273 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -4.123   1.808   0.683  0.00  0.00    +0.255 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -4.343   0.845   1.715  0.00  0.00    -0.371 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -6.664   0.165   1.522  0.00  0.00    +0.034 C 
ATOM     14  C   LIG    1       -5.210  -0.219   1.315  0.00  0.00    +0.157 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  S   LIG    1        2.929  -1.966  -1.719  0.00  0.00    +0.075 S 
ATOM     16  O   LIG    1        3.401  -2.928  -0.745  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        2.635  -2.393  -3.074  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  N   LIG    1        4.010  -0.716  -1.860  0.00  0.00    -0.184 N 
ATOM     19  H   LIG    1        4.605  -0.776  -2.677  0.00  0.00    +0.177 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.684  -0.315  -0.715  0.00  0.00    +0.235 A 
ATOM     21  N   LIG    1        4.001  -0.142   0.418  0.00  0.00    -0.222 NA
ATOM     22  C   LIG    1        4.695   0.396   1.438  0.00  0.00    +0.116 A 
ATOM     23  C   LIG    1        6.009   0.791   1.335  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        6.588   0.610   0.101  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        5.940   0.077  -0.952  0.00  0.00    -0.222 NA
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH   4  15
TORSDOF 7