REMARK  Name = BDB017113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.939  -0.361  -0.349  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.953  -1.060  -1.022  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        3.242  -1.140  -0.486  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        3.530  -0.503   0.721  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        2.525   0.179   1.408  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        1.235   0.258   0.872  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.561  -0.769  -2.113  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -0.421  -0.313  -0.978  0.00  0.00    +0.167 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.587   0.308  -0.212  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1       -2.919  -0.304  -0.690  0.00  0.00    +0.095 C 
ATOM     11  N   LIG    1       -4.030   0.500  -0.166  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -4.060   1.828  -0.804  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -2.684   2.340  -1.251  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1       -1.568   1.841  -0.340  0.00  0.00    +0.014 C 
BRANCH  11  15
ATOM     15  C   LIG    1       -5.334  -0.159  -0.297  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.458  -1.294   0.680  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -6.745  -1.513   1.438  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -5.522  -1.029   2.164  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  O   LIG    1        4.763  -0.567   1.328  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.870  -0.372   0.534  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        5.993   0.720  -0.329  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        7.158   0.880  -1.081  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        8.201  -0.038  -0.957  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        8.085  -1.114  -0.076  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.922  -1.277   0.676  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6