REMARK  Name = BDB022066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.650  -2.131  -0.641  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -0.416  -2.545   0.819  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        1.034  -2.934   1.058  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1        1.942  -1.827   0.763  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.220  -1.875   1.321  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.642  -2.833   1.963  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.527  -0.876  -0.271  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1        0.599  -1.522  -1.294  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.120  -0.713   1.145  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        5.396  -0.921   0.618  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        6.261   0.164   0.461  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.869   1.451   0.844  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        4.599   1.648   1.393  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        3.726   0.566   1.550  0.00  0.00    +0.016 A 
BRANCH  12  15
ATOM     15  O   LIG    1        6.812   2.418   0.635  0.00  0.00    -0.495 OA
ATOM     16  C   LIG    1        6.492   3.736   1.063  0.00  0.00    +0.277 C 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  18
ATOM     17  C   LIG    1       -3.089  -1.685  -0.688  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -1.789  -1.221  -0.731  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -1.616  -0.228  -0.795  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -3.380  -2.875  -0.656  0.00  0.00    -0.270 OA
BRANCH  17  24
ATOM     21  C   LIG    1       -6.244   1.229  -0.794  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1       -5.035   1.545  -0.172  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -3.997   0.606  -0.128  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -4.161  -0.655  -0.714  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -5.378  -0.978  -1.320  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1       -6.410  -0.036  -1.364  0.00  0.00    +0.046 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -7.229   3.341  -0.319  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -7.331   2.051  -0.907  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  17  24
ENDBRANCH   1  18
TORSDOF 5