REMARK  Name = BDB048910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.202  -0.871  -0.667  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1        3.821  -0.840  -0.538  0.00  0.00    +0.254 A 
ATOM      3  O   LIG    1        3.044  -1.927  -0.847  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1        2.289  -1.691  -2.047  0.00  0.00    +0.231 C 
ATOM      5  C   LIG    1        0.797  -1.940  -1.803  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        0.130  -0.841  -0.972  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -0.187   0.431  -1.782  0.00  0.00    +0.229 C 
ATOM      8  O   LIG    1       -0.183   1.663  -1.042  0.00  0.00    -0.490 OA
ATOM      9  C   LIG    1       -0.866   1.605   0.145  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -0.139   1.608   1.345  0.00  0.00    +0.078 A 
ATOM     11  N   LIG    1        1.264   1.730   1.349  0.00  0.00    -0.266 N 
ATOM     12  H   LIG    1        1.768   1.364   2.143  0.00  0.00    +0.156 HD
ATOM     13  C   LIG    1        1.928   2.737   0.692  0.00  0.00    +0.309 C 
ATOM     14  N   LIG    1        3.276   2.554   0.533  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        3.760   3.407   0.289  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.898   1.348   0.178  0.00  0.00    +0.148 A 
ATOM     17  C   LIG    1        5.282   1.325   0.007  0.00  0.00    +0.156 A 
ATOM     18  O   LIG    1        1.433   3.812   0.359  0.00  0.00    -0.252 OA
ATOM     19  C   LIG    1       -0.803   1.354   2.540  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -2.192   1.185   2.534  0.00  0.00    +0.064 A 
ATOM     21 CL   LIG    1       -2.976   0.883   4.051  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -2.946   1.218   1.338  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -2.256   1.464   0.145  0.00  0.00    +0.072 A 
ATOM     24  N   LIG    1        3.161   0.250  -0.078  0.00  0.00    -0.194 NA
ATOM     25  N   LIG    1        5.967   0.223  -0.400  0.00  0.00    -0.236 NA
ENDROOT
BRANCH   1  27
ATOM     26  N   LIG    1        6.438  -2.987  -1.518  0.00  0.00    -0.189 NA
ATOM     27  C   LIG    1        5.891  -2.038  -1.129  0.00  0.00    +0.125 C 
ENDBRANCH   1  27
BRANCH  22  28
ATOM     28  N   LIG    1       -4.347   1.084   1.378  0.00  0.00    -0.338 N 
ATOM     29  H   LIG    1       -4.647   0.735   2.288  0.00  0.00    +0.146 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -5.044   0.433   0.269  0.00  0.00    +0.145 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.652  -0.986  -0.006  0.00  0.00    +0.026 A 
ATOM     32  S   LIG    1       -4.330  -1.531  -1.603  0.00  0.00    -0.079 S 
ATOM     33  C   LIG    1       -4.008  -3.098  -0.988  0.00  0.00    +0.156 A 
ATOM     34  N   LIG    1       -4.123  -3.245   0.312  0.00  0.00    -0.255 NA
ATOM     35  C   LIG    1       -4.489  -2.038   0.875  0.00  0.00    +0.123 A 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  22  28
TORSDOF 4