REMARK  Name = BDB036462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.456   1.066  -1.783  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -2.146   0.709  -0.591  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -1.580  -0.227   0.287  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.346  -0.762  -0.069  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.351  -0.434  -1.215  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        1.531  -1.222  -1.132  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1        1.543  -1.964  -0.023  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1        0.364  -1.676   0.642  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -0.208   0.503  -2.104  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.501   2.359  -3.797  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -2.112   1.994  -2.566  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1       -3.399   1.331  -0.344  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -3.616   1.965  -1.110  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.286   1.221   0.670  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1       -4.201   0.462   1.765  0.00  0.00    -0.156 NA
ATOM     16  N   LIG    1       -5.330   0.715   2.445  0.00  0.00    -0.273 N 
ATOM     17  C   LIG    1       -5.565   0.044   3.700  0.00  0.00    +0.172 C 
ATOM     18  C   LIG    1       -6.145   1.615   1.831  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1       -5.494   1.965   0.671  0.00  0.00    +0.065 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1        2.547  -1.204  -2.075  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1        2.499  -0.585  -2.876  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.903  -2.171  -2.044  0.00  0.00    +0.074 S 
ATOM     23  O   LIG    1        3.519  -3.553  -1.858  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        4.675  -1.776  -3.206  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.791  -1.607  -0.615  0.00  0.00    +0.109 A 
ATOM     26  C   LIG    1        5.577  -0.453  -0.707  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        6.300  -0.024   0.407  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        6.245  -0.749   1.598  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.472  -1.909   1.679  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.748  -2.346   0.570  0.00  0.00    +0.029 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6