REMARK  Name = BDB003094
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.413  -0.596   0.547  0.00  0.00    -0.178 NA
ATOM      2  C   LIG    1       -3.450  -0.576  -0.955  0.00  0.00    +0.128 C 
ATOM      3  C   LIG    1       -2.327  -1.405  -1.587  0.00  0.00    +0.125 C 
ATOM      4  N   LIG    1       -1.004  -0.969  -1.137  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        0.091  -1.250  -1.947  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        0.009  -1.891  -2.991  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -0.922  -0.486   0.248  0.00  0.00    +0.125 C 
ATOM      8  C   LIG    1       -2.083  -0.994   1.114  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.427  -0.756  -1.541  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        1.647   0.601  -1.294  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        2.922   1.040  -0.928  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        3.996   0.139  -0.815  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        3.756  -1.218  -1.093  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.484  -1.665  -1.462  0.00  0.00    +0.013 A 
BRANCH  12  15
ATOM     15  C   LIG    1        5.338   0.605  -0.428  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1        5.974   1.645  -1.127  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        7.247   2.088  -0.759  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        7.907   1.499   0.316  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.295   0.467   1.023  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        6.022   0.024   0.653  0.00  0.00    +0.008 A 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  21
ATOM     21  S   LIG    1       -4.723  -1.353   1.318  0.00  0.00    +0.032 S 
ATOM     22  O   LIG    1       -4.964  -2.592   0.610  0.00  0.00    -0.158 OA
ATOM     23  O   LIG    1       -4.459  -1.355   2.741  0.00  0.00    -0.158 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -6.087  -0.235   0.995  0.00  0.00    +0.185 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.004   2.038   1.435  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.083   1.042   1.826  0.00  0.00    +0.021 C 
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5