REMARK  Name = BDB006096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.844  -2.023  -1.492  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1        0.157  -2.847  -2.250  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.357  -3.252  -1.375  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1        2.099  -2.117  -0.787  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.220  -0.950  -0.578  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1       -0.245  -1.338  -0.300  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -2.310  -2.848  -1.191  0.00  0.00    +0.061 S 
ATOM      8  O   LIG    1       -2.064  -3.785  -0.115  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -2.838  -3.295  -2.463  0.00  0.00    -0.153 OA
BRANCH   7  13
ATOM     10  C   LIG    1       -5.066   0.497   0.327  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -4.603  -0.509   1.195  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -3.765  -1.534   0.741  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -3.372  -1.560  -0.596  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1       -3.821  -0.585  -1.484  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -4.657   0.433  -1.022  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.343   1.575   2.301  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -5.991   1.636   0.797  0.00  0.00    -0.013 C 
ATOM     18  C   LIG    1       -5.309   2.997   0.544  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -7.321   1.580   0.015  0.00  0.00    +0.015 C 
ENDBRANCH  10  17
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        3.312  -1.798  -1.562  0.00  0.00    +0.158 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.202  -0.812  -0.798  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1        4.071   0.535  -1.065  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        3.401   0.843  -1.756  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        4.781   1.527  -0.447  0.00  0.00    +0.162 A 
ATOM     25  C   LIG    1        5.742   1.054   0.552  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1        6.515   1.974   1.237  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        6.329   3.397   0.922  0.00  0.00    +0.273 A 
ATOM     28  N   LIG    1        5.385   3.689  -0.042  0.00  0.00    -0.241 N 
ATOM     29  H   LIG    1        5.245   4.669  -0.271  0.00  0.00    +0.192 HD
ATOM     30  O   LIG    1        6.982   4.264   1.492  0.00  0.00    -0.266 OA
ATOM     31  C   LIG    1        7.432   1.528   2.189  0.00  0.00    +0.014 A 
ATOM     32  C   LIG    1        7.551   0.156   2.434  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        6.759  -0.763   1.731  0.00  0.00    +0.028 A 
ATOM     34  C   LIG    1        5.840  -0.325   0.776  0.00  0.00    +0.077 A 
ATOM     35  N   LIG    1        4.615   2.786  -0.725  0.00  0.00    -0.153 NA
ATOM     36  N   LIG    1        5.051  -1.273   0.083  0.00  0.00    -0.232 NA
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5