REMARK  Name = BDB021269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.400  -0.034   1.203  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        2.110   0.495  -0.090  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.850   0.245  -0.604  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.793   0.841  -1.844  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        2.027   1.422  -2.021  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.131  -0.497   0.089  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.162  -0.996   1.258  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.836   1.207  -0.934  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.409  -0.742   1.788  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.244  -0.356   0.060  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1        4.859   0.042   1.398  0.00  0.00    -0.266 N 
ATOM     12  C   LIG    1        3.602   0.164   1.950  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        3.826   0.483   3.278  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        5.231   0.564   3.441  0.00  0.00    +0.166 A 
ATOM     15  N   LIG    1        5.854   0.280   2.283  0.00  0.00    -0.167 NA
BRANCH  14  16
ATOM     16  C   LIG    1        5.971   0.911   4.705  0.00  0.00    +0.436 C 
ATOM     17  F   LIG    1        6.850   1.938   4.540  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        6.676  -0.143   5.202  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        5.115   1.297   5.694  0.00  0.00    -0.164 F 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1        2.488   2.135  -3.174  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        2.831   2.685  -4.138  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -1.366  -0.672  -0.492  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.594  -0.172  -1.342  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.518  -1.125   0.268  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.740  -0.372  -0.181  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.522  -0.773  -1.262  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.383  -1.937  -2.174  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.745  -1.872  -2.871  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.255  -0.520  -2.776  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -5.604  -0.005  -1.683  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.960   1.178  -1.064  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.196   1.594   0.028  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.103   0.825   0.456  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -3.383   1.266   1.499  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6