REMARK  Name = BDB020494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.161   0.105  -0.116  0.00  0.00    +0.113 A 
ATOM      2  C   LIG    1       -0.792   0.201   1.109  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -0.314   0.379   2.492  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -1.316   1.108   3.260  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.677   0.861   3.113  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -3.133   0.063   1.890  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -3.501  -1.354   2.316  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -3.511   1.245   3.938  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -0.854   1.748   4.479  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.127   0.057   0.842  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.283  -0.100  -0.512  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.104  -0.073  -1.106  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  22
ATOM     13  C   LIG    1        1.083   2.260  -4.913  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        1.857   1.702  -3.757  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        1.187   1.218  -2.624  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        1.877   0.643  -1.522  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.284   0.576  -1.599  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        4.017   0.038  -0.533  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        3.352  -0.420   0.594  0.00  0.00    +0.080 A 
ATOM     20  N   LIG    1        2.007  -0.378   0.701  0.00  0.00    -0.244 NA
ATOM     21  C   LIG    1        3.950   1.049  -2.742  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        1.287   0.136  -0.338  0.00  0.00    +0.099 A 
ATOM     23  C   LIG    1        3.245   1.599  -3.812  0.00  0.00    +0.004 A 
BRANCH  19  24
ATOM     24  C   LIG    1        4.013  -0.993   1.770  0.00  0.00    +0.057 A 
ATOM     25  S   LIG    1        5.700  -0.840   2.070  0.00  0.00    -0.071 S 
ATOM     26  C   LIG    1        5.529  -1.721   3.533  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1        6.719  -1.988   4.386  0.00  0.00    +0.073 C 
ATOM     28  N   LIG    1        4.309  -2.119   3.817  0.00  0.00    -0.252 NA
ATOM     29  C   LIG    1        3.450  -1.706   2.816  0.00  0.00    +0.128 A 
ENDBRANCH  19  24
ENDBRANCH   1  22
BRANCH  11  30
ATOM     30  C   LIG    1       -3.595  -0.281  -1.224  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -3.792   0.818  -2.283  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -3.412   0.305  -3.664  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -4.240  -0.784  -4.075  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.624  -1.684  -3.035  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -3.669  -1.683  -1.852  0.00  0.00    +0.039 C 
ENDBRANCH  11  30
TORSDOF 3