REMARK  Name = BDB022413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.512   1.796   0.964  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.331   2.294   2.261  0.00  0.00    +0.131 A 
ATOM      3  F   LIG    1        2.171   1.944   3.247  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.279   3.152   2.576  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.632   3.534   1.591  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.497   3.060   0.280  0.00  0.00    -0.035 A 
ATOM      7  C   LIG    1        0.585   2.201  -0.015  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.744  -0.885  -0.040  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        4.973   0.291   0.680  0.00  0.00    +0.145 A 
ATOM     10  F   LIG    1        6.224   0.594   1.067  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1        3.938   1.165   1.011  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        2.620   0.884   0.626  0.00  0.00    -0.012 A 
ATOM     13  C   LIG    1        2.393  -0.301  -0.098  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.439  -1.177  -0.427  0.00  0.00    +0.027 A 
BRANCH   8  16
ATOM     15  C   LIG    1        5.888  -2.874  -1.028  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        5.862  -1.700  -0.316  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        6.744  -1.335   0.025  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        4.952  -3.413  -1.606  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        8.195  -3.440  -0.198  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        7.237  -3.499  -1.132  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -1.460   3.427  -0.848  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.544   4.451  -0.499  0.00  0.00    +0.022 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -2.130   2.186  -1.460  0.00  0.00    +0.225 C 
ATOM     24  N   LIG    1       -2.812   1.422  -0.531  0.00  0.00    -0.268 N 
ATOM     25  H   LIG    1       -2.749   1.675   0.444  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1       -2.034   1.981  -2.668  0.00  0.00    -0.275 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -3.509   0.265  -0.805  0.00  0.00    +0.147 A 
ATOM     28  N   LIG    1       -3.693  -0.262  -2.015  0.00  0.00    -0.158 NA
ATOM     29  N   LIG    1       -4.411  -1.372  -1.798  0.00  0.00    -0.280 N 
ATOM     30  H   LIG    1       -4.663  -1.948  -2.595  0.00  0.00    +0.189 HD
ATOM     31  C   LIG    1       -4.710  -1.567  -0.485  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -4.134  -0.524   0.195  0.00  0.00    +0.068 A 
BRANCH  31  33
ATOM     33  C   LIG    1       -5.505  -2.745   0.111  0.00  0.00    +0.037 C 
ATOM     34  C   LIG    1       -6.720  -2.456   0.952  0.00  0.00    +0.010 C 
ATOM     35  C   LIG    1       -6.882  -3.038  -0.422  0.00  0.00    +0.010 C 
ENDBRANCH  31  33
ENDBRANCH  24  27
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7