REMARK  Name = BDB021660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.881  -0.824   1.195  0.00  0.00    +0.185 C 
ATOM      2  C   LIG    1       -0.470  -0.726   1.783  0.00  0.00    +0.241 C 
ATOM      3  O   LIG    1       -0.096   0.228   2.462  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.315  -1.809   1.502  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -0.196  -2.913   0.748  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        1.017  -3.797   0.491  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.930  -3.487   1.680  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -0.703  -2.350  -0.442  0.00  0.00    -0.356 OA
ATOM      9  C   LIG    1        1.696  -1.994   1.932  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1       -1.835  -1.494  -0.198  0.00  0.00    +0.194 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.818   0.683   0.924  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1       -2.480   0.505   1.186  0.00  0.00    -0.301 N 
ATOM     13  H   LIG    1       -1.947   1.237   1.649  0.00  0.00    +0.150 HD
ATOM     14  O   LIG    1       -4.519  -0.252   0.537  0.00  0.00    -0.274 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -4.342   2.139   1.058  0.00  0.00    +0.137 C 
ATOM     16  C   LIG    1       -3.941   2.806   2.373  0.00  0.00    +0.034 C 
BRANCH  15  18
ATOM     17  C   LIG    1       -6.618   1.705   1.915  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1       -5.803   2.187   0.805  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1       -5.985   1.577   0.002  0.00  0.00    +0.122 HD
ENDBRANCH  15  18
ENDBRANCH  11  15
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1        2.714  -1.152   1.124  0.00  0.00    +0.238 C 
ATOM     21  N   LIG    1        2.248  -0.758  -0.119  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        1.289  -1.014  -0.330  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        3.857  -0.997   1.549  0.00  0.00    -0.273 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.929  -0.035  -1.115  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.235   0.219  -2.303  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        2.842   0.932  -3.341  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        4.149   1.403  -3.211  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        4.843   1.153  -2.028  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        4.234   0.437  -0.986  0.00  0.00    +0.027 A 
BRANCH  27  30
ATOM     30  O   LIG    1        4.624   2.084  -4.296  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1        5.951   2.588  -4.206  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   9  20
TORSDOF 6