REMARK  Name = BDB062352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.067   0.771  -1.051  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1        2.762   0.394  -0.412  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        2.543   1.091  -2.295  0.00  0.00    +0.310 C 
ATOM      4  N   LIG    1        3.876   0.884  -2.514  0.00  0.00    -0.248 N 
ATOM      5  H   LIG    1        4.206   1.131  -3.435  0.00  0.00    +0.158 HD
ATOM      6  O   LIG    1        1.880   1.542  -3.227  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.776   0.387  -1.619  0.00  0.00    +0.167 A 
ATOM      8  S   LIG    1        6.367   0.255  -2.200  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        6.858  -0.376  -0.671  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1        5.743  -0.435   0.171  0.00  0.00    +0.081 A 
ATOM     11  C   LIG    1        5.909  -0.923   1.483  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        7.174  -1.335   1.913  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        8.261  -1.264   1.052  0.00  0.00    +0.118 A 
ATOM     14  C   LIG    1        8.136  -0.787  -0.252  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1        4.552   0.005  -0.387  0.00  0.00    -0.225 NA
BRANCH  13  16
ATOM     16  O   LIG    1        9.468  -1.682   1.534  0.00  0.00    -0.507 OA
ATOM     17  H   LIG    1       10.142  -1.577   0.842  0.00  0.00    +0.292 HD
ENDBRANCH  13  16
ENDBRANCH   4   7
BRANCH   1  21
ATOM     18  C   LIG    1       -1.803   1.043   0.588  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -1.588   1.501  -0.715  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -0.313   1.415  -1.285  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        0.756   0.892  -0.553  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        0.536   0.465   0.764  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -0.736   0.545   1.337  0.00  0.00    +0.015 A 
BRANCH  18  29
ATOM     24  C   LIG    1       -6.962  -1.805   0.207  0.00  0.00    +0.105 C 
ATOM     25  N   LIG    1       -6.688  -0.606  -0.582  0.00  0.00    -0.302 NA
ATOM     26  C   LIG    1       -6.734   0.616   0.248  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -5.542   0.799   1.206  0.00  0.00    +0.123 C 
ATOM     28  N   LIG    1       -4.250   0.643   0.536  0.00  0.00    -0.295 N 
ATOM     29  C   LIG    1       -3.138   1.148   1.218  0.00  0.00    +0.247 C 
ATOM     30  O   LIG    1       -3.209   1.694   2.317  0.00  0.00    -0.270 OA
ATOM     31  C   LIG    1       -4.153  -0.531  -0.343  0.00  0.00    +0.123 C 
ATOM     32  C   LIG    1       -5.380  -0.682  -1.263  0.00  0.00    +0.103 C 
ENDBRANCH  18  29
ENDBRANCH   1  21
TORSDOF 4