REMARK  Name = BDB018347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.878   2.157   0.152  0.00  0.00    -0.004 A 
ATOM      2  C   LIG    1        0.509   2.363  -0.296  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.001   3.618  -0.263  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.256   4.706   0.157  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.875   6.022   0.135  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.064   4.583   0.568  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -1.782   5.511   0.931  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.616   3.206   0.560  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -2.783  -1.678   0.410  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -3.150  -0.779  -0.599  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -2.533   0.474  -0.680  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -1.539   0.837   0.239  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -1.163  -0.071   1.237  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -1.778  -1.323   1.319  0.00  0.00    +0.013 A 
BRANCH   9  18
ATOM     15  C   LIG    1       -5.427  -4.380   0.239  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -4.696  -3.152   0.052  0.00  0.00    -0.314 N 
ATOM     17  H   LIG    1       -5.228  -2.314  -0.135  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -3.410  -3.024   0.540  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -2.803  -3.937   1.088  0.00  0.00    -0.270 OA
ENDBRANCH   9  18
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  C   LIG    1        1.319   1.277  -0.759  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        2.566   0.929  -0.287  0.00  0.00    +0.116 A 
ATOM     22  N   LIG    1        2.944  -0.174  -1.002  0.00  0.00    -0.271 N 
ATOM     23  N   LIG    1        2.048  -0.534  -1.942  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        1.050   0.338  -1.777  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.178  -0.933  -0.840  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.077  -1.931   0.277  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1        4.941  -3.167   0.271  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        3.459  -3.286   0.042  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   2  20
TORSDOF 5