REMARK  Name = BDB006830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.736  -0.744   1.487  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.560  -1.447   1.693  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        0.746  -1.300   1.183  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.552  -2.331   1.674  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        2.891  -2.435   1.337  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        3.440  -1.463   0.500  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        2.661  -0.406   0.000  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        0.776  -3.276   2.534  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        1.301  -0.329   0.361  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -0.544  -2.525   2.694  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.717  -0.967   2.207  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  12
ATOM     12  N   LIG    1        3.204   0.616  -0.803  0.00  0.00    -0.314 N 
ATOM     13  H   LIG    1        2.538   1.054  -1.429  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.508   1.128  -0.917  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.912   1.696  -2.134  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        6.209   2.186  -2.308  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        7.127   2.110  -1.264  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.747   1.544  -0.051  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.448   1.054   0.118  0.00  0.00    +0.023 A 
ENDBRANCH  12  14
ENDBRANCH   7  12
BRANCH   1  20
ATOM     20  C   LIG    1       -1.788   0.278   0.341  0.00  0.00    +0.181 C 
BRANCH  20  27
ATOM     21  C   LIG    1       -6.279   0.223   0.130  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -5.357   0.009  -1.075  0.00  0.00    +0.065 C 
ATOM     23  N   LIG    1       -5.349   1.195  -1.964  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -4.884   0.926  -2.830  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -4.565   2.284  -1.355  0.00  0.00    +0.096 C 
ATOM     26  C   LIG    1       -3.148   1.853  -0.915  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1       -3.166   0.687  -0.015  0.00  0.00    -0.291 NA
ATOM     28  C   LIG    1       -3.925  -0.414  -0.643  0.00  0.00    +0.103 C 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 4