REMARK  Name = BDB018959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.436  -2.526  -0.005  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.649  -1.603  -0.055  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.885  -1.880   0.558  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.945  -0.960   0.467  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.817   0.238  -0.250  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -1.608   0.519  -0.901  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.098  -3.131   1.368  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.047  -4.179   1.055  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.550  -0.412  -0.798  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.328  -3.527   1.073  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.374   0.430   0.210  0.00  0.00    +0.173 A 
ATOM     12  C   LIG    1        3.573  -0.715  -0.051  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        4.425  -1.630  -0.651  0.00  0.00    +0.085 A 
ATOM     14  C   LIG    1        3.983  -2.879  -1.069  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1        2.632  -3.134  -0.836  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.808  -2.183  -0.212  0.00  0.00    +0.126 A 
ATOM     17  N   LIG    1        5.641  -1.013  -0.702  0.00  0.00    -0.275 N 
ATOM     18  H   LIG    1        6.505  -1.386  -1.080  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1        2.265  -0.977   0.177  0.00  0.00    -0.228 NA
ATOM     20  N   LIG    1        5.656   0.230  -0.188  0.00  0.00    -0.166 NA
BRANCH  11  24
ATOM     21  C   LIG    1        4.845   3.866   1.605  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        4.988   2.614   0.917  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        5.905   2.265   0.651  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        3.957   1.699   0.823  0.00  0.00    +0.266 C 
ATOM     25  O   LIG    1        2.821   1.935   1.220  0.00  0.00    -0.268 OA
ENDBRANCH  11  24
ENDBRANCH   1  16
BRANCH   5  26
ATOM     26  C   LIG    1       -3.962   1.124  -0.294  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.995   2.394   0.236  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1       -5.255   2.865   0.011  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1       -5.766   4.170   0.354  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1       -6.067   1.969  -0.582  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1       -5.273   0.911  -0.773  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1       -1.388   1.768  -1.716  0.00  0.00    +0.372 C 
ATOM     33  F   LIG    1       -2.338   1.959  -2.677  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1       -1.366   2.909  -0.972  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4