REMARK  Name = BDB015015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.882  -1.352  -1.416  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.316  -1.805  -1.087  0.00  0.00    +0.166 C 
BRANCH   2   3
ATOM      3  O   LIG    1        2.305  -3.198  -0.736  0.00  0.00    -0.387 OA
ATOM      4  H   LIG    1        3.215  -3.450  -0.502  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1        2.962  -0.983   0.052  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  N   LIG    1        3.146   0.443  -0.272  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1        4.304   0.691  -1.151  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1        5.654   0.620  -0.468  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        5.771   0.800   0.923  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1        7.035   0.763   1.526  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        8.179   0.571   0.752  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        8.069   0.412  -0.627  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        4.536   0.969   1.773  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        6.814   0.439  -1.235  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        3.280   1.270   0.941  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.074  -1.370  -0.233  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.220  -0.949  -0.354  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -1.946  -0.947   0.837  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.283  -0.539   0.860  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.921  -0.123  -0.315  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -3.186  -0.132  -1.510  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.847  -0.541  -1.530  0.00  0.00    +0.046 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.372   0.325  -0.323  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1       -5.609   1.559   0.574  0.00  0.00    +0.089 C 
ATOM     25  N   LIG    1       -7.012   2.000   0.558  0.00  0.00    -0.315 NA
ATOM     26  H   LIG    1       -7.260   2.274  -0.393  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -7.903   0.922   0.992  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -7.769  -0.319   0.112  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1       -6.325  -0.816   0.071  0.00  0.00    +0.010 C 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7