REMARK  Name = BDB021200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.649  -1.018  -0.221  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.014  -1.644   0.892  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.264  -2.132   0.695  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.642  -2.754   1.861  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.596  -2.553   2.732  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.940  -2.010  -0.532  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.332  -1.483  -1.561  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.429  -1.870   2.125  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.053  -1.002  -1.376  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.609   0.540  -0.075  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1        3.621   1.277  -0.719  0.00  0.00    +0.146 A 
ATOM     12  F   LIG    1        3.901   2.458  -1.289  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1        2.321   0.787  -0.779  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        2.015  -0.447  -0.194  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.062  -1.111   0.447  0.00  0.00    +0.120 A 
ATOM     16  N   LIG    1        4.342  -0.661   0.504  0.00  0.00    -0.255 NA
BRANCH  10  17
ATOM     17  C   LIG    1        6.032   1.065  -0.007  0.00  0.00    +0.142 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.833   1.942   1.332  0.00  0.00    +0.105 C 
ATOM     19  N   LIG    1        6.384   1.747   1.258  0.00  0.00    -0.303 NA
ATOM     20  C   LIG    1        5.699   3.032   1.396  0.00  0.00    +0.105 C 
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1       -0.508  -2.994   4.090  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -0.476  -3.372   5.189  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.235  -2.457  -0.695  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.443  -2.399  -1.690  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.341  -1.860   0.051  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.434  -0.377  -0.168  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.915   0.187  -1.346  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.376  -0.453  -2.602  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.017   0.759  -3.278  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -5.433   1.964  -2.734  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -4.947   1.567  -1.515  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -4.505   2.442  -0.544  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -4.025   1.901   0.647  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -3.993   0.511   0.824  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -3.512   0.025   1.977  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7