REMARK  Name = BDB021222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.785  -0.207   0.002  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.214   1.091  -0.094  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.867   1.200   0.193  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.524   2.522   0.016  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.692   3.148  -0.356  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.072   0.099   0.574  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.615  -1.086   0.646  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.735   2.258  -0.421  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.957  -1.210   0.358  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.891  -0.314  -2.786  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.733  -0.583  -1.570  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.201  -0.520  -0.270  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        5.062  -0.775   0.806  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        6.392  -1.077   0.557  0.00  0.00    +0.142 A 
ATOM     15  F   LIG    1        7.229  -1.323   1.573  0.00  0.00    -0.204 F 
ATOM     16  C   LIG    1        6.835  -1.124  -0.749  0.00  0.00    +0.149 A 
ATOM     17  N   LIG    1        6.037  -0.889  -1.816  0.00  0.00    -0.257 NA
ENDBRANCH   1  12
BRANCH   5  18
ATOM     18  C   LIG    1        1.868   4.537  -0.659  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        1.968   5.669  -0.896  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.261   0.311   0.853  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.533   1.247   1.133  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.068  -0.721   1.480  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.513  -0.317   1.437  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.258  -0.343   0.262  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.850  -0.694  -1.120  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.231  -0.779  -1.771  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.168   0.003  -0.994  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.584   0.071   0.244  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.229   0.527   1.376  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.505   0.556   2.568  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.166   0.140   2.589  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.497   0.203   3.749  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5