REMARK  Name = BDB052673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.766  -0.119  -1.140  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -1.776   0.376  -0.276  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.234   1.027   0.793  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -1.945   1.622   1.794  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1       -1.487   2.106   2.553  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.325   1.592   1.755  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1       -3.979   0.866   0.603  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1       -3.968   2.157   2.634  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1        0.441   1.070   0.806  0.00  0.00    -0.065 S 
ATOM     10  C   LIG    1       -3.197   0.300  -0.346  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.510   0.154  -0.660  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -1.004  -0.789  -2.292  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1       -1.894  -0.700  -2.774  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -0.230  -0.895  -2.955  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1       -5.448   0.748   0.522  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1       -6.257   0.957   1.406  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -5.885   0.356  -0.694  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -6.860   0.339  -0.582  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1        1.780  -0.172  -1.296  0.00  0.00    +0.202 C 
ATOM     20  O   LIG    1        1.895  -0.318  -2.515  0.00  0.00    -0.286 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.012  -0.365  -0.486  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        4.207   0.210  -0.934  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        5.383   0.030  -0.205  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.369  -0.735   0.962  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.184  -1.329   1.398  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.005  -1.152   0.673  0.00  0.00    +0.012 A 
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 5