REMARK  Name = BDB055389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.246   0.778   0.214  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        0.672   0.684   1.254  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        1.957   0.298   0.796  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        1.972   0.144  -0.559  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        3.063  -0.211  -1.301  0.00  0.00    -0.316 N 
ATOM      6  H   LIG    1        3.015  -0.279  -2.308  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        4.272  -0.423  -0.667  0.00  0.00    +0.264 A 
ATOM      8  C   LIG    1        4.293  -0.312   0.834  0.00  0.00    +0.124 A 
ATOM      9  O   LIG    1        5.278  -0.660  -1.331  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        3.173   0.051   1.497  0.00  0.00    +0.032 A 
ATOM     11  S   LIG    1        0.505   0.446  -1.310  0.00  0.00    -0.065 S 
ENDROOT
BRANCH   2  12
ATOM     12  N   LIG    1        0.362   0.924   2.550  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1        1.081   1.158   3.228  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -0.521   1.401   2.755  0.00  0.00    +0.142 HD
ENDBRANCH   2  12
BRANCH   1  15
ATOM     15  C   LIG    1       -1.647   1.167   0.305  0.00  0.00    +0.205 C 
ATOM     16  O   LIG    1       -2.111   1.798   1.259  0.00  0.00    -0.286 OA
BRANCH  15  18
ATOM     17  C   LIG    1       -2.866  -0.507  -1.119  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1       -2.603   0.821  -0.768  0.00  0.00    +0.064 A 
ATOM     19  C   LIG    1       -3.293   1.861  -1.404  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -4.202   1.571  -2.423  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.426   0.247  -2.804  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.757  -0.793  -2.155  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -2.996  -2.012   0.611  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -2.229  -1.552  -0.504  0.00  0.00    -0.494 OA
ENDBRANCH  17  24
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   8  25
ATOM     25  C   LIG    1        5.485  -0.577   1.651  0.00  0.00    +0.342 C 
ATOM     26  O   LIG    1        5.731  -0.068   2.732  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        6.287  -1.520   1.136  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        7.035  -1.589   1.763  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 6