REMARK  Name = BDB020493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.352  -0.043   0.949  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.187  -1.135   1.004  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.148  -2.446   1.681  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -2.510  -2.816   2.054  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.589  -2.594   1.200  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -3.316  -1.764  -0.056  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -2.964  -2.715  -1.202  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -4.707  -3.075   1.394  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -2.666  -3.724   3.175  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.252  -0.805   0.196  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.101   0.502  -0.205  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -0.914   0.942   0.177  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  22
ATOM     13  C   LIG    1        4.423   0.903  -0.674  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        3.247   0.775  -1.327  0.00  0.00    -0.254 NA
ATOM     15  C   LIG    1        2.136   0.534  -0.586  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        2.109   0.385   0.809  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.355   0.522   1.461  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.427   0.394   2.858  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        2.283   0.132   3.608  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        1.058  -0.009   2.968  0.00  0.00    +0.133 A 
ATOM     21  F   LIG    1       -0.021  -0.258   3.727  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        0.946   0.104   1.578  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.510   0.784   0.709  0.00  0.00    +0.037 A 
BRANCH  13  27
ATOM     24  C   LIG    1        9.170   1.834  -2.867  0.00  0.00    +0.073 C 
ATOM     25  C   LIG    1        7.726   1.597  -2.600  0.00  0.00    +0.076 A 
ATOM     26  S   LIG    1        7.180   1.331  -0.995  0.00  0.00    -0.071 S 
ATOM     27  C   LIG    1        5.563   1.169  -1.559  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1        5.568   1.331  -2.935  0.00  0.00    +0.128 A 
ATOM     29  N   LIG    1        6.795   1.571  -3.526  0.00  0.00    -0.252 NA
ENDBRANCH  13  27
ENDBRANCH   1  22
BRANCH  11  30
ATOM     30  C   LIG    1       -3.113   1.380  -0.891  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -4.307   1.704   0.009  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -5.238   2.707  -0.670  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -5.199   2.652  -2.097  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.974   1.342  -2.601  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -3.554   0.893  -2.273  0.00  0.00    +0.039 C 
ENDBRANCH  11  30
TORSDOF 3