REMARK  Name = BDB015623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.212  -2.291   0.514  0.00  0.00    +0.328 A 
ATOM      2  N   LIG    1       -0.774  -1.113   0.248  0.00  0.00    -0.175 NA
ATOM      3  C   LIG    1        0.078  -0.099   0.121  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        1.395  -0.198   0.282  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1        1.821  -1.430   0.498  0.00  0.00    +0.241 A 
ATOM      6  N   LIG    1        1.084  -2.505   0.696  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.504   1.234  -0.192  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        0.303   2.254  -0.540  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -0.181   3.518  -0.842  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        0.775   4.550  -1.215  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.539   3.830  -0.813  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.000   4.939  -1.069  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.456   2.705  -0.441  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.920   3.008  -0.416  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.938   1.500  -0.156  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        3.163  -1.616   0.838  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        3.380  -2.601   0.968  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        4.295  -0.860  -0.119  0.00  0.00    +0.048 S 
ATOM     19  O   LIG    1        5.518  -1.611   0.080  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.761  -0.680  -1.452  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.504   0.755   0.672  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        4.857   0.618   2.149  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.574   1.553  -0.068  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1       -1.023  -3.400   0.725  0.00  0.00    -0.420 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -3.224  -3.442   2.529  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.397  -3.380   1.039  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -2.286  -3.337   0.184  0.00  0.00    +0.170 A 
ATOM     28  C   LIG    1       -2.464  -3.302  -1.202  0.00  0.00    +0.166 A 
ATOM     29  F   LIG    1       -1.402  -3.305  -2.021  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -3.739  -3.268  -1.753  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.851  -3.283  -0.913  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.681  -3.341   0.474  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6