REMARK  Name = BDB028017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.363   1.860  -0.174  0.00  0.00    +0.056 C 
ATOM      2  C   LIG    1       -1.927   0.600  -0.934  0.00  0.00    +0.109 C 
ATOM      3  O   LIG    1       -0.649   0.175  -0.387  0.00  0.00    -0.482 OA
ATOM      4  C   LIG    1       -0.926  -0.907   0.413  0.00  0.00    +0.166 A 
ATOM      5  C   LIG    1       -2.237  -1.352   0.267  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.721  -2.428   0.990  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -1.860  -3.055   1.889  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.539  -2.605   2.036  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -0.047  -1.526   1.289  0.00  0.00    +0.163 A 
ATOM     10  C   LIG    1       -2.938  -0.550  -0.764  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -1.709   0.933  -2.410  0.00  0.00    +0.056 C 
ENDROOT
BRANCH   9  12
ATOM     12  O   LIG    1        1.253  -1.212   1.555  0.00  0.00    -0.476 OA
BRANCH  12  13
ATOM     13  C   LIG    1        1.945  -0.334   0.675  0.00  0.00    +0.260 C 
ATOM     14  C   LIG    1        3.424  -0.741   0.629  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1        3.843  -1.869   0.879  0.00  0.00    -0.271 OA
ATOM     16  N   LIG    1        4.305   0.247   0.244  0.00  0.00    -0.253 N 
ATOM     17  H   LIG    1        5.276  -0.028   0.200  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        4.058   1.593   0.135  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        4.964   2.386  -0.103  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        2.620   2.028   0.276  0.00  0.00    +0.100 C 
ATOM     21  C   LIG    1        1.860   1.096   1.204  0.00  0.00    +0.063 C 
ENDBRANCH  12  13
ENDBRANCH   9  12
TORSDOF 2