REMARK  Name = BDB018659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.877   0.279   0.226  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.005   0.832  -0.718  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -1.385   0.803  -0.507  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -2.240   1.372  -1.454  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -1.859   1.940  -2.202  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -3.608   1.313  -1.394  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -4.203   0.314  -0.410  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -4.231  -1.070  -1.073  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -5.354  -1.793  -0.409  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -6.237  -0.804   0.258  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -3.402   0.312   0.902  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -5.696   0.557  -0.160  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -4.285   1.976  -2.176  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.918   0.242   0.655  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -1.053  -0.300   1.607  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        0.328  -0.287   1.390  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        5.051   0.319  -0.490  0.00  0.00    +0.125 A 
ATOM     18  N   LIG    1        4.230  -0.183  -1.444  0.00  0.00    -0.250 NA
ATOM     19  C   LIG    1        2.904  -0.180  -1.173  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        2.330   0.297   0.007  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.216   0.804   0.967  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.590   0.819   0.723  0.00  0.00    +0.033 A 
BRANCH  17  26
ATOM     23  C   LIG    1        8.772  -0.177   0.015  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1        7.359  -0.011   0.248  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        6.957  -0.483   1.048  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        6.517   0.320  -0.805  0.00  0.00    +0.262 C 
ATOM     27  O   LIG    1        6.926   0.585  -1.930  0.00  0.00    -0.269 OA
ENDBRANCH  17  26
ENDBRANCH   1  20
BRANCH   9  28
ATOM     28  C   LIG    1       -5.696  -3.061  -0.669  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -5.991  -4.157  -0.892  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 3