REMARK  Name = BDB025068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.099  -1.540  -1.198  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.287  -0.392  -1.206  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.971   0.898  -1.440  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.436   1.029  -2.900  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.140   2.144  -1.095  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.299   1.901   0.140  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.385   0.750  -0.162  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.029   0.746   0.225  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.324   1.708   0.897  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -0.914   1.261   1.011  0.00  0.00    +0.133 A 
ATOM     11  N   LIG    1       -1.028   0.001   0.446  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.213  -0.337  -0.072  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.696  -1.456  -0.757  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.048  -1.451  -1.129  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.903  -0.382  -0.829  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.283  -1.534  -1.527  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.196  -0.877   0.399  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.599  -1.423   1.782  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -4.094  -1.778   1.875  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.604  -2.350   0.550  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -4.465  -1.357  -0.607  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.381  -0.300  -0.380  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.355  -2.750   3.005  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -3.529  -3.383   3.638  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.667  -2.862   3.291  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -5.700  -3.503   4.033  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        5.330  -3.814  -0.654  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        4.488  -2.663  -0.724  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.995   2.030   1.696  0.00  0.00    +0.217 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.536   3.076   0.833  0.00  0.00    -0.263 N 
ATOM     31  N   LIG    1       -3.864   3.104   0.563  0.00  0.00    -0.178 NA
ATOM     32  C   LIG    1       -4.007   4.200  -0.191  0.00  0.00    +0.154 A 
ATOM     33  C   LIG    1       -2.792   4.880  -0.383  0.00  0.00    +0.078 A 
ATOM     34 CL   LIG    1       -2.561   6.303  -1.264  0.00  0.00    -0.080 Cl
ATOM     35  C   LIG    1       -1.861   4.141   0.300  0.00  0.00    +0.128 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6