REMARK  Name = BDB045998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.322   0.987   0.548  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.839   0.171   1.553  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.189   0.266   1.913  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.038   1.178   1.274  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        2.510   2.003   0.275  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.163   1.905  -0.083  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.968   0.991   0.095  0.00  0.00    -0.486 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.863   0.033   0.668  0.00  0.00    +0.288 C 
BRANCH   8  11
ATOM      9  C   LIG    1       -2.767   0.490  -2.541  0.00  0.00    +0.088 C 
ATOM     10  C   LIG    1       -3.534   0.269  -1.304  0.00  0.00    +0.129 A 
ATOM     11  C   LIG    1       -3.205   0.089   0.024  0.00  0.00    +0.120 A 
ATOM     12  N   LIG    1       -4.361  -0.074   0.761  0.00  0.00    -0.210 NA
ATOM     13  C   LIG    1       -5.333   0.024  -0.128  0.00  0.00    +0.228 A 
ATOM     14  O   LIG    1       -4.895   0.228  -1.411  0.00  0.00    -0.440 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -6.778  -0.055   0.072  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1       -7.681   0.011  -1.000  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -9.059  -0.067  -0.780  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -9.552  -0.213   0.515  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -8.669  -0.281   1.591  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -7.292  -0.200   1.370  0.00  0.00    +0.013 A 
ENDBRANCH  13  15
ENDBRANCH   8  11
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1        4.495   1.267   1.655  0.00  0.00    +0.035 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.455   0.801   0.556  0.00  0.00    +0.012 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.302  -0.686   0.220  0.00  0.00    +0.080 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.315  -1.131  -0.779  0.00  0.00    +0.170 A 
ATOM     25  C   LIG    1        7.293  -2.020  -0.653  0.00  0.00    +0.235 A 
ATOM     26  N   LIG    1        7.926  -2.088  -1.829  0.00  0.00    -0.259 N 
ATOM     27  H   LIG    1        8.714  -2.652  -2.096  0.00  0.00    +0.175 HD
ATOM     28  C   LIG    1        7.318  -1.219  -2.704  0.00  0.00    +0.421 A 
ATOM     29  O   LIG    1        7.657  -1.037  -3.864  0.00  0.00    -0.223 OA
ATOM     30  O   LIG    1        6.260  -0.574  -2.078  0.00  0.00    -0.409 OA
BRANCH  25  31
ATOM     31  O   LIG    1        7.657  -2.758   0.413  0.00  0.00    -0.491 OA
ATOM     32  H   LIG    1        8.401  -3.316   0.135  0.00  0.00    +0.294 HD
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 9