REMARK  Name = BDB036269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.785  -1.073  -1.162  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.545   0.153  -0.474  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.248   0.403  -0.075  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.256   1.606   0.592  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -1.560   2.052   0.543  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        0.821  -0.478  -0.339  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.587  -1.595  -0.974  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.350   1.140  -0.128  0.00  0.00    -0.230 NA
ATOM      9  C   LIG    1       -0.706  -1.857  -1.376  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.048  -0.064  -3.578  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1       -5.165  -1.019  -2.832  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1       -5.630  -2.275  -2.640  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1       -4.841  -3.128  -1.955  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -3.593  -2.796  -1.457  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.108  -1.503  -1.674  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -3.922  -0.601  -2.367  0.00  0.00    +0.031 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -2.141   3.326   1.081  0.00  0.00    +0.098 C 
ATOM     18  C   LIG    1       -3.325   3.069   2.011  0.00  0.00    +0.030 C 
BRANCH  17  19
ATOM     19  N   LIG    1       -2.550   4.144  -0.066  0.00  0.00    -0.323 NA
ATOM     20  H   LIG    1       -3.127   3.548  -0.663  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -3.161   4.891   0.254  0.00  0.00    +0.119 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  22
ATOM     22  N   LIG    1        2.086  -0.132   0.090  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        2.260   0.858   0.225  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.256  -0.851  -0.379  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.441  -0.468   0.460  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.619  -0.947   1.755  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.809  -1.915   2.534  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1        4.434  -1.705   3.913  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1        5.762  -1.154   3.752  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        5.727  -0.582   2.508  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        6.702   0.266   2.021  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1        6.537   0.772   0.732  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1        5.417   0.409  -0.029  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        5.289   0.924  -1.261  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6