REMARK  Name = BDB049741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.938   0.771  -0.990  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -3.362   0.200   0.224  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.405  -0.405   1.053  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -1.050  -0.417   0.708  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -0.606   0.165  -0.478  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.571   0.753  -1.318  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -4.764   0.175   0.668  0.00  0.00    +0.113 A 
ATOM      8  S   LIG    1       -5.684   1.627   0.768  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1       -7.026   0.744   1.381  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -6.668  -0.599   1.499  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -7.621  -1.514   1.994  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -8.896  -1.065   2.352  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -9.232   0.279   2.225  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -8.304   1.206   1.739  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1       -5.375  -0.905   1.113  0.00  0.00    -0.239 NA
ENDBRANCH   2   7
BRANCH   1  17
ATOM     16  C   LIG    1       -3.522   1.829  -3.060  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.911   1.300  -1.799  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH   5  18
ATOM     18  N   LIG    1        0.735   0.193  -0.879  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        0.943   0.630  -1.764  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.926  -0.257  -0.314  0.00  0.00    +0.221 A 
ATOM     21  N   LIG    1        3.023  -0.027  -1.056  0.00  0.00    -0.199 NA
ATOM     22  C   LIG    1        4.220  -0.415  -0.575  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        4.330  -1.065   0.631  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        3.162  -1.266   1.321  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        1.962  -0.867   0.875  0.00  0.00    -0.223 NA
BRANCH  22  26
ATOM     26  N   LIG    1        5.303  -0.136  -1.416  0.00  0.00    -0.285 N 
ATOM     27  H   LIG    1        4.925   0.252  -2.277  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        6.628  -0.070  -1.153  0.00  0.00    +0.120 A 
ATOM     29  N   LIG    1        7.517   0.078  -2.188  0.00  0.00    -0.264 N 
ATOM     30  H   LIG    1        7.310   0.127  -3.177  0.00  0.00    +0.190 HD
ATOM     31  N   LIG    1        8.803   0.140  -1.806  0.00  0.00    -0.178 NA
ATOM     32  C   LIG    1        8.743   0.045  -0.473  0.00  0.00    +0.062 A 
ATOM     33  C   LIG    1        9.985   0.093   0.335  0.00  0.00    +0.067 C 
ATOM     34  C   LIG    1        7.409  -0.085  -0.019  0.00  0.00    +0.068 A 
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 6