REMARK  Name = BDB063076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.180  -4.026   1.373  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1       -2.430  -3.169   0.919  0.00  0.00    +0.329 A 
ATOM      3  N   LIG    1       -1.444  -3.465   0.021  0.00  0.00    -0.275 N 
ATOM      4  H   LIG    1       -1.400  -4.418  -0.305  0.00  0.00    +0.173 HD
ATOM      5  C   LIG    1       -0.681  -2.540  -0.637  0.00  0.00    +0.262 A 
ATOM      6  O   LIG    1        0.021  -2.835  -1.597  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.784  -1.150  -0.147  0.00  0.00    +0.091 A 
ATOM      8  C   LIG    1        0.126  -0.091  -0.707  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1       -0.347   1.304  -0.288  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1       -1.330   1.463   0.620  0.00  0.00    +0.181 A 
ATOM     11  O   LIG    1       -1.991   0.397   1.216  0.00  0.00    -0.435 OA
ATOM     12  C   LIG    1       -1.726   2.853   1.005  0.00  0.00    +0.131 A 
ATOM     13  S   LIG    1       -2.916   3.268   2.111  0.00  0.00    -0.029 S 
ATOM     14  N   LIG    1       -1.036   3.865   0.372  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1       -1.279   4.817   0.617  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1       -0.042   3.688  -0.548  0.00  0.00    +0.156 A 
ATOM     17  S   LIG    1        0.744   4.970  -1.250  0.00  0.00    -0.013 S 
ATOM     18  N   LIG    1        0.271   2.398  -0.860  0.00  0.00    -0.335 N 
ATOM     19  H   LIG    1        1.033   2.260  -1.520  0.00  0.00    +0.168 HD
ATOM     20  C   LIG    1       -1.736  -0.877   0.754  0.00  0.00    +0.212 A 
ATOM     21  N   LIG    1       -2.537  -1.853   1.261  0.00  0.00    -0.278 N 
ATOM     22  H   LIG    1       -3.256  -1.609   1.931  0.00  0.00    +0.173 HD
ENDROOT
BRANCH   8  23
ATOM     23  C   LIG    1        1.602  -0.330  -0.403  0.00  0.00    +0.003 A 
ATOM     24  S   LIG    1        2.209  -0.199   1.200  0.00  0.00    -0.101 S 
ATOM     25  C   LIG    1        3.797  -0.578   0.699  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        3.871  -0.813  -0.655  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        2.604  -0.674  -1.291  0.00  0.00    +0.012 A 
ENDBRANCH   8  23
TORSDOF 1