REMARK  Name = BDB036232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.279   0.873   0.187  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.873  -0.469  -0.071  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.522  -0.689  -0.251  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.358  -2.040  -0.461  0.00  0.00    +0.121 A 
ATOM      5  CA  LIG    1       -1.625  -2.580  -0.417  0.00  0.00    +0.085 A 
ATOM      6  C   LIG    1        0.439   0.342  -0.201  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.052   1.564   0.046  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.558  -1.593  -0.176  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1       -1.294   1.795   0.239  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.604   2.878   1.891  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.548   2.163   1.137  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.849   1.479   0.030  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.670   0.963  -0.381  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.666   0.202  -1.611  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.615   1.307   0.435  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.170   2.098   1.425  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1        1.764   0.023  -0.413  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.954  -0.821  -0.941  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.759   1.060  -0.622  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.130   0.450  -0.567  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.696   0.000   0.622  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.133  -0.037   1.993  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.405  -0.366   2.774  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.355  -0.997   1.885  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.954  -0.590   0.640  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.702  -0.763  -0.507  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        6.159  -0.314  -1.710  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.891   0.283  -1.732  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        4.394   0.683  -2.911  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   5  30
ATOM     30  C   LIG    1       -2.062  -3.996  -0.578  0.00  0.00    +0.212 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -3.434  -4.074  -0.960  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1       -3.837  -3.260  -0.596  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6