REMARK  Name = BDB065404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.725   0.885   1.722  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -1.839   1.675   1.031  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -2.094   2.744   0.493  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.485   1.052   1.037  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.530   1.630   0.381  0.00  0.00    +0.035 C 
ATOM      6  S   LIG    1       -0.528  -0.422   1.921  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -2.236  -0.262   2.282  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -2.845  -1.078   2.955  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.861   1.125   0.302  0.00  0.00    +0.017 A 
ATOM     10  S   LIG    1        2.719   1.304  -1.182  0.00  0.00    -0.052 S 
ATOM     11  C   LIG    1        4.125   0.528  -0.585  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1        3.957   0.174   0.739  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.670   0.520   1.247  0.00  0.00    +0.019 A 
BRANCH  11  14
ATOM     14  O   LIG    1        5.171   0.385  -1.412  0.00  0.00    -0.449 OA
BRANCH  14  15
ATOM     15  C   LIG    1        6.248  -0.373  -1.028  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1        7.444   0.274  -0.721  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        8.559  -0.480  -0.356  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        8.476  -1.873  -0.311  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.281  -2.516  -0.639  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        6.164  -1.766  -1.005  0.00  0.00    +0.046 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  C   LIG    1       -4.124   1.237   1.837  0.00  0.00    +0.152 C 
BRANCH  21  26
ATOM     22  C   LIG    1       -7.158  -1.039  -2.589  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1       -6.407  -0.440  -1.438  0.00  0.00    -0.050 A 
ATOM     24  C   LIG    1       -5.821   0.826  -1.555  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -5.094   1.371  -0.495  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.936   0.659   0.701  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.503  -0.618   0.808  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.230  -1.163  -0.253  0.00  0.00    +0.003 A 
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5