REMARK  Name = BDB023402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.084   0.764  -2.222  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -1.052   2.006  -2.964  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.302  -0.515  -2.861  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -4.422   2.048  -0.276  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -3.396   1.859  -1.218  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -2.368   0.927  -0.995  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -2.352   0.156   0.167  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1       -3.345   0.345   1.123  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.366   1.275   0.900  0.00  0.00    +0.008 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -5.492   4.144   0.619  0.00  0.00    +0.015 C 
ATOM     11  C   LIG    1       -5.565   3.061  -0.480  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -6.927   2.337  -0.394  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -5.524   3.789  -1.843  0.00  0.00    +0.015 C 
ENDBRANCH   4  11
BRANCH   7  14
ATOM     14  O   LIG    1       -1.314  -0.713   0.395  0.00  0.00    -0.487 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -1.676  -2.068   0.755  0.00  0.00    +0.174 C 
ATOM     16  C   LIG    1       -2.453  -2.908  -0.294  0.00  0.00    +0.045 C 
ATOM     17  C   LIG    1       -1.594  -4.113   0.130  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -0.531  -3.102   0.596  0.00  0.00    +0.045 C 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  N   LIG    1        0.296   0.677  -1.298  0.00  0.00    -0.179 N 
ATOM     20  H   LIG    1        0.120   0.401  -0.337  0.00  0.00    +0.177 HD
ATOM     21  C   LIG    1        1.561   0.477  -1.866  0.00  0.00    +0.298 C 
ATOM     22  O   LIG    1        1.774   0.591  -3.064  0.00  0.00    -0.265 OA
BRANCH  21  23
ATOM     23  C   LIG    1        2.573   0.125  -0.885  0.00  0.00    +0.192 A 
ATOM     24  O   LIG    1        3.860  -0.056  -1.332  0.00  0.00    -0.450 OA
ATOM     25  C   LIG    1        4.635  -0.369  -0.260  0.00  0.00    +0.139 A 
ATOM     26  C   LIG    1        3.868  -0.405   0.891  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1        4.515  -0.709   2.094  0.00  0.00    +0.134 A 
ATOM     28  C   LIG    1        5.891  -0.963   2.099  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        6.657  -0.930   0.920  0.00  0.00    -0.038 A 
ATOM     30  F   LIG    1        3.829  -0.748   3.244  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        6.008  -0.617  -0.293  0.00  0.00    +0.051 A 
ATOM     32  C   LIG    1        2.543  -0.090   0.486  0.00  0.00    +0.066 A 
BRANCH  29  33
ATOM     33  C   LIG    1        8.146  -1.188   0.952  0.00  0.00    +0.019 C 
ATOM     34  C   LIG    1        8.741  -2.286   0.100  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        8.687  -2.449   1.588  0.00  0.00    +0.009 C 
ENDBRANCH  29  33
ENDBRANCH  21  23
ENDBRANCH   1  19
TORSDOF 7