REMARK  Name = BDB049751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -0.646   0.412  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        1.266   0.429  -0.119  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        0.569   1.550  -0.597  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -0.827   1.593  -0.578  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.576   0.525  -0.070  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -0.877  -0.585   0.421  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.736   0.465  -0.182  0.00  0.00    +0.113 A 
ATOM      8  S   LIG    1        3.626  -0.826  -0.893  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        5.095   0.025  -0.621  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.802   1.257  -0.037  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        5.865   2.131   0.268  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.182   1.752  -0.014  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        7.450   0.517  -0.596  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.413  -0.367  -0.910  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        3.459   1.506   0.183  0.00  0.00    -0.239 NA
ENDBRANCH   2   7
BRANCH   1  17
ATOM     16  C   LIG    1        0.530  -2.821   1.415  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        1.248  -1.695   0.929  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1       -2.981   0.620  -0.095  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1       -3.316   1.531  -0.367  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.990  -0.317   0.153  0.00  0.00    +0.152 A 
ATOM     21  C   LIG    1       -5.335   0.035   0.151  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1       -6.319  -0.913   0.378  0.00  0.00    +0.183 A 
ATOM     23  N   LIG    1       -7.568  -0.354   0.334  0.00  0.00    -0.216 NA
ATOM     24  C   LIG    1       -7.363   0.919   0.090  0.00  0.00    +0.199 A 
ATOM     25  N   LIG    1       -6.063  -2.210   0.608  0.00  0.00    -0.214 NA
ATOM     26  C   LIG    1       -4.756  -2.480   0.596  0.00  0.00    +0.225 A 
ATOM     27  N   LIG    1       -6.030   1.202  -0.027  0.00  0.00    -0.340 N 
ATOM     28  H   LIG    1       -5.639   2.115  -0.204  0.00  0.00    +0.167 HD
ATOM     29  N   LIG    1       -3.733  -1.626   0.387  0.00  0.00    -0.218 NA
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 4