REMARK  Name = BDB017282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.756  -0.394   0.518  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        3.302   0.919   0.709  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        1.939   1.201   0.916  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        1.011   0.135   0.936  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -0.350   0.405   1.144  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.784   1.721   1.304  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        0.126   2.777   1.311  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        1.472  -1.174   0.748  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.483   2.516   1.111  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        2.831  -1.435   0.540  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  13
ATOM     11  O   LIG    1        5.331  -2.876   0.035  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        5.817  -1.755   0.101  0.00  0.00    +0.220 C 
ATOM     13  N   LIG    1        5.141  -0.572   0.318  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        5.700   0.268   0.335  0.00  0.00    +0.155 HD
BRANCH  12  15
ATOM     15  C   LIG    1        7.300  -1.633  -0.072  0.00  0.00    +0.075 C 
ATOM     16  C   LIG    1        7.947  -0.472  -0.791  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1        8.134  -0.632   0.692  0.00  0.00    +0.013 C 
ENDBRANCH  12  15
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  C   LIG    1       -2.210   2.014   1.536  0.00  0.00    +0.167 C 
ATOM     19  O   LIG    1       -2.554   2.297   2.684  0.00  0.00    -0.292 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.212   1.968   0.386  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1       -3.919   0.609   0.316  0.00  0.00    +0.095 C 
ATOM     22  N   LIG    1       -3.179  -0.372  -0.485  0.00  0.00    -0.301 NA
ATOM     23  C   LIG    1       -2.952   0.096  -1.853  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -2.097   1.361  -1.843  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1       -2.707   2.459  -0.976  0.00  0.00    +0.014 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -3.753  -1.720  -0.420  0.00  0.00    +0.088 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.143  -1.852  -0.970  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -6.357  -1.683  -0.089  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.981  -3.049  -0.587  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 6