REMARK  Name = BDB027800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.600   0.809   0.278  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -0.259   2.178   0.419  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        1.088   2.459   0.153  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        1.502   3.778   0.257  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.727   4.836   0.596  0.00  0.00    -0.260 NA
ATOM      6  C   LIG    1       -0.561   4.554   0.858  0.00  0.00    +0.131 A 
ATOM      7  N   LIG    1        1.992   1.535  -0.191  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.570   0.270  -0.294  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.098   3.273   0.791  0.00  0.00    +0.071 A 
ATOM     10 CL   LIG    1       -2.768   3.116   1.215  0.00  0.00    -0.081 Cl
ATOM     11  N   LIG    1        0.307  -0.116  -0.076  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        2.557  -0.759  -0.668  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        2.206  -2.114  -0.768  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        3.169  -3.046  -1.122  0.00  0.00    +0.111 A 
ATOM     15  N   LIG    1        4.453  -2.734  -1.384  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        4.788  -1.432  -1.288  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.894  -0.430  -0.941  0.00  0.00    +0.031 A 
ENDBRANCH   8  12
BRANCH   1  18
ATOM     18  N   LIG    1       -1.926   0.399   0.428  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -2.344   0.866   1.230  0.00  0.00    +0.148 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -2.160  -1.546  -1.109  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -2.387  -0.994   0.305  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -3.914  -0.962   0.548  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1       -1.758  -1.895   1.376  0.00  0.00    +0.031 C 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 3