REMARK  Name = BDB055757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.082   1.397   0.796  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -1.239   0.908   0.623  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.317   1.652   1.122  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.096   2.860   1.785  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.786   3.330   1.951  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.307   2.604   1.459  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.423  -0.326  -0.051  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1       -1.845  -1.399   0.869  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1       -2.129  -2.667   0.069  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -3.271  -2.457  -0.927  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -3.485  -0.985  -1.283  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -2.170  -0.212  -1.320  0.00  0.00    +0.105 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     13  O   LIG    1        3.041   1.774   0.728  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.460   0.805   0.250  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1        1.102   0.589   0.252  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        0.731  -0.254  -0.185  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1        3.273  -0.209  -0.473  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.093  -1.594  -0.368  0.00  0.00    +0.053 A 
ATOM     19 CL   LIG    1        1.925  -2.325   0.673  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        3.912  -2.460  -1.104  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        4.914  -1.954  -1.934  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.111  -0.580  -2.027  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.298   0.289  -1.297  0.00  0.00    +0.014 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
BRANCH   5  24
ATOM     24  N   LIG    1       -0.562   4.602   2.649  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1       -1.552   5.172   3.133  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        0.596   5.037   2.714  0.00  0.00    -0.126 OA
ENDBRANCH   5  24
TORSDOF 4