REMARK  Name = BDB002794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.157  -0.911  -1.661  0.00  0.00    -0.457 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.812   0.030  -0.923  0.00  0.00    +0.310 C 
ATOM      3  O   LIG    1       -0.318   0.638   0.019  0.00  0.00    -0.251 OA
BRANCH   2   4
ATOM      4  C   LIG    1       -2.209   0.228  -1.445  0.00  0.00    +0.147 C 
BRANCH   4   5
ATOM      5  C   LIG    1       -3.200   0.371  -0.282  0.00  0.00    +0.114 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -3.278  -0.901   0.554  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -2.893  -0.875   1.903  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.956  -2.030   2.683  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.406  -3.225   2.126  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.793  -3.267   0.788  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.731  -2.113   0.006  0.00  0.00    +0.005 A 
ENDBRANCH   5   6
BRANCH   5  14
ATOM     12  C   LIG    1       -6.292   2.185  -1.540  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -4.832   1.962  -1.248  0.00  0.00    +0.210 C 
ATOM     14  N   LIG    1       -4.543   0.715  -0.746  0.00  0.00    -0.308 N 
ATOM     15  H   LIG    1       -5.312   0.168  -0.378  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -3.989   2.832  -1.437  0.00  0.00    -0.276 OA
ENDBRANCH   5  14
ENDBRANCH   4   5
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.200  -1.120  -1.253  0.00  0.00    +0.311 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.089   0.085  -1.573  0.00  0.00    +0.209 C 
ATOM     19  O   LIG    1        1.806   0.852  -2.500  0.00  0.00    -0.288 OA
BRANCH  18  20
ATOM     20  C   LIG    1        3.268   0.354  -0.684  0.00  0.00    +0.123 A 
ATOM     21  C   LIG    1        3.927  -0.759   0.030  0.00  0.00    +0.269 A 
ATOM     22  O   LIG    1        3.673  -1.922  -0.285  0.00  0.00    -0.267 OA
ATOM     23  N   LIG    1        4.817  -0.427   1.024  0.00  0.00    -0.263 N 
ATOM     24  C   LIG    1        5.427  -1.500   1.788  0.00  0.00    +0.157 C 
ATOM     25  C   LIG    1        5.340   0.845   1.179  0.00  0.00    +0.333 A 
ATOM     26  O   LIG    1        6.267   1.068   1.960  0.00  0.00    -0.246 OA
ATOM     27  N   LIG    1        4.765   1.839   0.393  0.00  0.00    -0.284 N 
ATOM     28  C   LIG    1        5.322   3.187   0.505  0.00  0.00    +0.155 C 
ATOM     29  C   LIG    1        3.718   1.616  -0.497  0.00  0.00    +0.116 A 
BRANCH  29  30
ATOM     30  N   LIG    1        3.185   2.709  -1.172  0.00  0.00    -0.344 N 
ATOM     31  H   LIG    1        2.862   3.430  -0.532  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        2.420   2.448  -1.809  0.00  0.00    +0.144 HD
ENDBRANCH  29  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9