REMARK  Name = BDB002197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.558   0.275  -0.125  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.493   1.304  -0.377  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1        3.824   0.964  -0.689  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        4.223  -0.370  -0.787  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        3.293  -1.392  -0.583  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        1.968  -1.062  -0.263  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.204   0.573   0.176  0.00  0.00    -0.296 N 
ATOM      8  H   LIG    1       -0.038   1.553   0.071  0.00  0.00    +0.154 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -0.702  -0.124   0.966  0.00  0.00    +0.137 C 
ATOM     10  S   LIG    1       -0.229  -1.093   2.261  0.00  0.00    -0.018 S 
BRANCH   9  11
ATOM     11  N   LIG    1       -2.049   0.131   0.611  0.00  0.00    -0.312 N 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.433   0.862  -0.611  0.00  0.00    +0.106 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -3.114  -1.178  -1.981  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -2.227   0.054  -1.896  0.00  0.00    +0.016 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  15
ATOM     15  C   LIG    1       -3.181  -0.370   1.416  0.00  0.00    +0.106 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.615   0.657   2.462  0.00  0.00    +0.016 C 
ATOM     17  C   LIG    1       -4.783   0.147   3.291  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1        2.206   2.769  -0.308  0.00  0.00    +0.341 C 
ATOM     19  O   LIG    1        3.083   3.620  -0.280  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        0.873   3.026  -0.323  0.00  0.00    -0.464 OA
ATOM     21  C   LIG    1        0.551   4.420  -0.276  0.00  0.00    +0.280 C 
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   5  22
ATOM     22  C   LIG    1        3.650  -2.831  -0.718  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        2.829  -3.734  -0.714  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.993  -2.979  -0.839  0.00  0.00    -0.464 OA
ATOM     25  C   LIG    1        5.416  -4.338  -0.956  0.00  0.00    +0.280 C 
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 11