REMARK  Name = BDB012079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.879  -0.561  -0.475  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.955   0.128   0.385  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -1.094   1.566   0.778  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1        0.059  -0.728   0.810  0.00  0.00    +0.079 A 
ATOM      5  S   LIG    1       -0.163  -2.326   0.225  0.00  0.00    -0.090 S 
ATOM      6  C   LIG    1       -1.550  -1.883  -0.658  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.224  -0.476   1.648  0.00  0.00    +0.251 C 
ATOM      8  N   LIG    1        1.822   0.749   1.441  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.551   1.286   0.626  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        1.679  -1.284   2.456  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.080   1.109   2.054  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.207   0.756   1.127  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.334   1.658  -0.067  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1        3.538   2.568  -0.280  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1        5.378   1.408  -0.920  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        5.443   2.027  -1.719  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        6.279   0.386  -0.766  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        7.345   0.249  -1.809  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1        6.161  -0.432   0.290  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        5.103  -0.246   1.275  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1        5.120  -1.247   2.398  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  N   LIG    1       -2.953   0.056  -1.055  0.00  0.00    -0.326 N 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.342  -0.244  -0.625  0.00  0.00    +0.078 C 
ATOM     24  C   LIG    1       -4.474  -0.382   0.894  0.00  0.00    +0.050 C 
ATOM     25  C   LIG    1       -5.934  -0.596   1.287  0.00  0.00    +0.161 C 
ATOM     26  O   LIG    1       -6.707  -1.251   0.279  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -5.948  -2.194  -0.469  0.00  0.00    +0.161 C 
ATOM     28  C   LIG    1       -4.941  -1.461  -1.345  0.00  0.00    +0.050 C 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     29  C   LIG    1       -3.002   2.061  -2.483  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1       -2.782   0.557  -2.429  0.00  0.00    +0.102 C 
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 6