REMARK  Name = BDB055760
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.379  -0.179  -1.277  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.476  -1.097  -1.951  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.413  -1.260  -3.346  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -0.374  -0.399  -4.110  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.109   0.610  -3.494  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.106   0.710  -2.097  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -0.434   0.928   3.146  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1       -1.660   0.666   2.271  0.00  0.00    +0.071 C 
ATOM      9  N   LIG    1       -2.180  -0.673   2.630  0.00  0.00    -0.300 NA
ATOM     10  C   LIG    1       -3.515  -0.611   3.218  0.00  0.00    +0.105 C 
ATOM     11  C   LIG    1       -2.149  -1.603   1.489  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1       -0.819  -1.548   0.705  0.00  0.00    +0.120 C 
ATOM     13  N   LIG    1       -0.565  -0.198   0.126  0.00  0.00    -0.326 N 
ATOM     14  C   LIG    1       -1.358   0.885   0.757  0.00  0.00    +0.123 C 
ENDBRANCH   1  13
BRANCH   2  15
ATOM     15  N   LIG    1        1.440  -1.899  -1.306  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        1.688  -2.783  -1.734  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        2.367  -1.537  -0.351  0.00  0.00    +0.250 C 
ATOM     18  O   LIG    1        3.054  -2.409   0.183  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.639  -0.127  -0.003  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        3.046   0.839  -0.931  0.00  0.00    +0.053 A 
ATOM     21 CL   LIG    1        3.340   0.490  -2.599  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        3.329   2.142  -0.501  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.252   2.473   0.852  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.913   1.497   1.785  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.619   0.200   1.361  0.00  0.00    +0.014 A 
ENDBRANCH  17  19
ENDBRANCH   2  15
BRANCH   4  26
ATOM     26  N   LIG    1       -0.400  -0.536  -5.570  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1        0.196  -1.501  -6.069  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1       -1.024   0.317  -6.217  0.00  0.00    -0.126 OA
ENDBRANCH   4  26
TORSDOF 4