REMARK  Name = BDB017175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.059   0.701  -0.831  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -1.372   0.587  -0.356  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -2.202  -0.411  -0.865  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -1.711  -1.275  -1.850  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.410  -1.138  -2.341  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.418  -0.139  -1.837  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.787   1.780  -0.291  0.00  0.00    +0.168 C 
ATOM      8  O   LIG    1        0.521   2.934  -0.630  0.00  0.00    -0.292 OA
BRANCH   7  11
ATOM      9  N   LIG    1        3.526  -0.025  -0.553  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1        3.269   1.339  -0.083  0.00  0.00    +0.095 C 
ATOM     11  C   LIG    1        1.937   1.470   0.664  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        1.691   0.344   1.676  0.00  0.00    +0.014 C 
ATOM     13  C   LIG    1        2.124  -1.034   1.185  0.00  0.00    +0.016 C 
ATOM     14  C   LIG    1        3.505  -1.003   0.533  0.00  0.00    +0.084 C 
BRANCH   9  15
ATOM     15  C   LIG    1        4.690  -0.137  -1.439  0.00  0.00    +0.084 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.682  -0.042   0.197  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1        6.019   0.526  -1.045  0.00  0.00    +0.012 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  O   LIG    1       -3.495  -0.652  -0.491  0.00  0.00    -0.487 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -4.088   0.264   0.426  0.00  0.00    +0.264 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.519  -0.158   0.650  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1       -6.551   0.379  -0.132  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -7.873  -0.021   0.068  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -8.175  -0.969   1.045  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.156  -1.521   1.818  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.833  -1.122   1.619  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7