REMARK  Name = BDB028453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.713  -0.634   0.336  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -3.511  -1.048  -0.353  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.293  -0.401  -0.382  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -1.482  -1.199  -1.180  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.295  -2.295  -1.541  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -3.529  -2.201  -1.048  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.100  -0.927  -1.524  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        0.888  -1.890  -1.266  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.224  -1.640  -1.607  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.568  -0.419  -2.183  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.978  -0.146  -2.503  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.872  -1.142  -2.196  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.850  -0.971  -2.408  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.568  -2.355  -1.663  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        4.324   0.916  -3.009  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.589   0.544  -2.450  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.322  -2.616  -1.388  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.256   0.285  -2.129  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        3.011  -3.996  -0.816  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.821  -3.884   0.628  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        2.699  -4.813   1.027  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        3.679  -3.515   1.044  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -2.012   0.857   0.323  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -1.179   0.915   1.460  0.00  0.00    +0.071 A 
ATOM     25  C   LIG    1       -0.900   2.160   2.099  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.483   3.341   1.573  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1       -1.230   4.583   2.176  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -0.408   4.682   3.296  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        0.173   3.538   3.828  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -2.314   3.267   0.451  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -0.069   2.295   3.239  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -2.568   2.044  -0.157  0.00  0.00    +0.134 A 
ATOM     33  F   LIG    1       -3.370   2.026  -1.232  0.00  0.00    -0.205 F 
BRANCH  24  34
ATOM     34  C   LIG    1       -0.625  -0.300   1.997  0.00  0.00    +0.101 C 
ATOM     35  N   LIG    1       -0.182  -1.267   2.460  0.00  0.00    -0.191 NA
ENDBRANCH  24  34
ENDBRANCH   3  23
TORSDOF 5