REMARK  Name = BDB036271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.857  -0.288   1.521  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.510   0.567   0.435  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.180   0.600   0.066  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.080   1.454  -1.007  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -1.357   1.930  -1.228  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        0.819  -0.154   0.717  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.485  -0.940   1.704  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.235   1.367  -0.324  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1       -0.842  -0.979   2.084  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.018  -0.686   4.381  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.026  -0.631   3.283  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.411  -0.807   2.016  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.273  -0.684   1.295  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.365  -0.874  -0.135  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.162  -0.445   2.075  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -3.636  -0.413   3.375  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -1.817   2.936  -2.241  0.00  0.00    +0.098 C 
ATOM     18  C   LIG    1       -3.193   2.606  -2.818  0.00  0.00    +0.030 C 
BRANCH  17  19
ATOM     19  N   LIG    1       -1.830   4.247  -1.582  0.00  0.00    -0.323 NA
ATOM     20  H   LIG    1       -2.430   4.167  -0.759  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -2.286   4.923  -2.190  0.00  0.00    +0.119 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1        2.120  -0.044   0.275  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        2.368   0.816  -0.202  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.224  -0.614   1.027  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.459  -0.616   0.173  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.578  -1.418  -0.958  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.598  -2.341  -1.581  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        4.523  -3.053  -2.568  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        5.667  -2.209  -2.837  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        5.720  -1.379  -1.749  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        6.787  -0.552  -1.460  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        6.696   0.252  -0.324  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        5.545   0.215   0.475  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        5.490   1.017   1.548  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6