REMARK  Name = BDB055772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.225  -0.892  -0.586  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.153  -1.200  -0.421  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.639  -2.471  -0.731  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.751  -3.445  -1.208  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -0.611  -3.158  -1.375  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.092  -1.885  -1.062  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.887   1.129   0.395  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.576   0.640  -0.016  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -2.809   1.663  -0.739  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -1.468   1.102  -1.266  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -0.670   0.407  -0.220  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.290   0.411   1.128  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.809   0.100   1.125  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1        1.948  -0.134   0.049  0.00  0.00    -0.277 N 
ATOM     15  H   LIG    1        1.402   0.712   0.170  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        3.295  -0.117   0.355  0.00  0.00    +0.284 C 
ATOM     17  O   LIG    1        4.023  -1.103   0.282  0.00  0.00    -0.266 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.783   1.185   0.790  0.00  0.00    +0.189 A 
ATOM     19  O   LIG    1        5.095   1.278   1.183  0.00  0.00    -0.458 OA
ATOM     20  C   LIG    1        5.331   2.563   1.542  0.00  0.00    +0.196 A 
ATOM     21  C   LIG    1        4.196   3.319   1.391  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        3.197   2.437   0.907  0.00  0.00    +0.054 A 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  23
ATOM     23  N   LIG    1        1.248  -4.786  -1.541  0.00  0.00    +0.056 N 
ATOM     24  O   LIG    1        2.471  -4.974  -1.526  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1        0.409  -5.655  -1.821  0.00  0.00    -0.126 OA
ENDBRANCH   4  23
TORSDOF 4