REMARK  Name = BDB003868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.590   0.177  -0.197  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        3.446   0.925  -0.519  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        2.220   0.559   0.063  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        2.110  -0.514   0.943  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        0.841  -0.749   1.434  0.00  0.00    -0.225 NA
ATOM      6  C   LIG    1       -0.027   0.107   0.938  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        3.268  -1.254   1.257  0.00  0.00    +0.030 A 
ATOM      8  S   LIG    1        0.671   1.273  -0.133  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        4.498  -0.904   0.686  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -1.347   0.100   1.273  0.00  0.00    -0.309 N 
ATOM     11  C   LIG    1       -2.379   0.703   0.431  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -3.719   0.081   0.907  0.00  0.00    +0.064 C 
ATOM     13  C   LIG    1       -4.193  -0.968  -0.106  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -3.425  -1.618  -0.811  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1       -5.521  -1.294  -0.095  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -5.563  -2.202  -0.554  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -6.343  -0.539  -0.885  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.891  -1.052  -1.860  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.640   0.883  -0.469  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -5.436   1.717  -0.057  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -4.773   1.162   1.200  0.00  0.00    +0.018 C 
ATOM     22  C   LIG    1       -3.338  -0.641   2.217  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -1.877  -1.027   2.020  0.00  0.00    +0.108 C 
ENDBRANCH   6  10
BRANCH   1  24
ATOM     24  C   LIG    1        5.879   0.583  -0.825  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1        5.982   1.526  -1.593  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.883  -0.236  -0.428  0.00  0.00    -0.461 OA
BRANCH  26  28
ATOM     27  C   LIG    1        8.354  -0.635  -2.309  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        8.180   0.057  -0.970  0.00  0.00    +0.229 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 4