REMARK  Name = BDB045375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.100  -0.298   0.981  0.00  0.00    -0.209 N 
ATOM      2  C   LIG    1       -1.306  -1.332   0.521  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -1.533  -2.144  -0.368  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -0.019  -1.348   1.307  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -0.348  -0.521   2.526  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -1.543   0.278   2.104  0.00  0.00    +0.228 C 
ATOM      7  O   LIG    1       -1.903   1.263   2.735  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -7.082   1.357  -1.450  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.779   0.950  -0.832  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -4.921   0.069  -1.490  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -3.717  -0.335  -0.896  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.332   0.115   0.377  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -4.216   0.990   1.029  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -5.422   1.397   0.439  0.00  0.00    +0.005 A 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  S   LIG    1        1.296  -0.615   0.269  0.00  0.00    -0.072 S 
BRANCH  15  16
ATOM     16  C   LIG    1        2.708  -1.055   1.178  0.00  0.00    +0.197 A 
ATOM     17  N   LIG    1        4.023  -0.753   0.855  0.00  0.00    -0.277 N 
ATOM     18  C   LIG    1        4.713  -1.114   1.994  0.00  0.00    +0.230 A 
ATOM     19  N   LIG    1        3.909  -1.635   2.891  0.00  0.00    -0.137 NA
ATOM     20  N   LIG    1        2.646  -1.601   2.374  0.00  0.00    -0.122 NA
BRANCH  17  21
ATOM     21  C   LIG    1        4.615  -0.218  -0.327  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        5.853   0.443  -0.245  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        6.456   0.965  -1.392  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.840   0.826  -2.632  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.622   0.158  -2.726  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.012  -0.365  -1.582  0.00  0.00    +0.026 A 
ENDBRANCH  17  21
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4