REMARK  Name = BDB055397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.372  -1.159   0.853  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        2.438  -0.391   0.319  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        2.046   0.283  -0.800  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        2.844   1.102  -1.544  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1        2.499   1.567  -2.372  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        4.162   1.285  -1.172  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1        4.644   0.578   0.072  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1        4.892   1.993  -1.859  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1        0.449   0.035  -1.239  0.00  0.00    -0.065 S 
ATOM     10  C   LIG    1        3.784  -0.215   0.753  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        0.204  -1.019   0.112  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.466  -1.930   1.960  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1        2.360  -2.261   2.307  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1        0.707  -2.588   2.164  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1        6.025   0.765   0.559  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1        6.819   1.622   0.221  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.392  -0.146   1.485  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        7.318   0.109   1.690  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1       -1.079  -1.669   0.355  0.00  0.00    +0.202 C 
ATOM     20  O   LIG    1       -1.222  -2.628   1.117  0.00  0.00    -0.286 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -2.298  -1.195  -0.338  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -2.933   0.021   0.020  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1       -4.074   0.409  -0.723  0.00  0.00    -0.017 A 
ATOM     24  C   LIG    1       -4.731   1.613  -0.416  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -4.282   2.432   0.619  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -3.174   2.057   1.367  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.550  -0.413  -1.759  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -3.923  -1.620  -2.071  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.508   0.865   1.075  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -2.798  -2.016  -1.359  0.00  0.00    +0.012 A 
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 5