REMARK  Name = BDB036916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.191  -1.485  -1.526  0.00  0.00    +0.063 S 
ATOM      2  O   LIG    1       -0.712  -1.313  -2.865  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1        0.312  -2.792  -1.137  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.427  -1.036  -0.335  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -2.272   0.053  -0.571  0.00  0.00    +0.097 A 
ATOM      6  C   LIG    1       -3.265   0.309   0.406  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.138   1.389   0.216  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.029   2.185  -0.914  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.039   1.876  -1.818  0.00  0.00    +0.111 A 
ATOM     10  C   LIG    1       -3.388  -0.498   1.550  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.539  -1.579   1.748  0.00  0.00    +0.003 A 
ATOM     12  N   LIG    1       -2.174   0.851  -1.660  0.00  0.00    -0.253 NA
ATOM     13  C   LIG    1       -1.561  -1.855   0.803  0.00  0.00    +0.031 A 
ENDBRANCH   1   4
BRANCH   1  15
ATOM     14  C   LIG    1        0.914   0.977  -1.772  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1        1.105  -0.404  -1.289  0.00  0.00    -0.168 NA
BRANCH  15  16
ATOM     16  C   LIG    1        1.921  -0.578  -0.059  0.00  0.00    +0.166 C 
ATOM     17  C   LIG    1        1.615   0.385   1.083  0.00  0.00    +0.238 C 
ATOM     18  O   LIG    1        0.495   0.833   1.319  0.00  0.00    -0.274 OA
ATOM     19  N   LIG    1        2.663   0.700   1.917  0.00  0.00    -0.255 N 
ATOM     20  H   LIG    1        2.444   1.317   2.688  0.00  0.00    +0.158 HD
ATOM     21  C   LIG    1        3.944   0.210   1.889  0.00  0.00    +0.219 C 
ATOM     22  O   LIG    1        4.753   0.505   2.763  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        4.269  -0.756   0.777  0.00  0.00    +0.098 C 
ATOM     24  C   LIG    1        3.402  -0.493  -0.444  0.00  0.00    +0.039 C 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 3