REMARK  Name = BDB007659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.150   1.219   2.320  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.704   1.327   1.183  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1       -0.640   1.330   0.887  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.901   1.332  -0.096  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.606   1.442  -0.006  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.000   1.455  -1.217  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1        1.837   1.564  -2.250  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1        3.175   1.640  -2.179  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1        3.728   1.606  -0.957  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        2.968   1.517   0.184  0.00  0.00    +0.076 A 
BRANCH   9  11
ATOM     11  N   LIG    1        5.114   1.708  -0.934  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1        5.401   1.746  -1.913  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        5.870   0.718  -0.155  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        7.330   1.183  -0.041  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        8.199   0.493  -1.079  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1        8.208  -0.927  -0.929  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        6.995  -1.499  -0.445  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1        5.771  -0.673  -0.798  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1       -1.665   1.146   1.890  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.811  -0.309   2.370  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.740  -0.387   3.461  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.369   0.152   4.183  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.221  -1.295   1.248  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.356  -0.892   0.386  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.615  -0.819   1.159  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.855  -0.639   0.302  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -5.839  -0.933  -1.072  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.005  -0.778  -1.833  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.190  -0.360  -1.228  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.216  -0.088   0.138  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.552  -1.353  -1.731  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.056  -0.229   0.900  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.516  -1.854  -0.718  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8