REMARK  Name = BDB062824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.021   0.266  -0.243  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -0.756  -1.036  -0.566  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1        0.622  -1.163  -0.565  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1        1.114  -2.441  -0.853  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1        0.235  -3.436  -1.101  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1       -1.080  -3.183  -1.060  0.00  0.00    +0.216 A 
ATOM      7  C   LIG    1        1.105   0.134  -0.211  0.00  0.00    +0.108 A 
ATOM      8  N   LIG    1       -1.653  -2.002  -0.822  0.00  0.00    -0.195 NA
ATOM      9  N   LIG    1        0.090   0.994  -0.003  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.477   0.599  -0.016  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1        3.466   0.367  -0.984  0.00  0.00    +0.162 A 
ATOM     12  F   LIG    1        3.178  -0.308  -2.109  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        4.769   0.837  -0.766  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        5.030   1.532   0.403  0.00  0.00    +0.160 A 
ATOM     15  O   LIG    1        6.348   1.883   0.393  0.00  0.00    -0.425 OA
ATOM     16  C   LIG    1        6.807   1.386  -0.790  0.00  0.00    +0.286 A 
ATOM     17  C   LIG    1        4.094   1.807   1.391  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1        5.921   0.745  -1.513  0.00  0.00    -0.193 NA
ATOM     19  C   LIG    1        2.800   1.323   1.150  0.00  0.00    +0.016 A 
BRANCH  16  20
ATOM     20  N   LIG    1        8.098   1.590  -1.054  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        8.698   1.773  -0.260  0.00  0.00    +0.147 HD
ATOM     22  H   LIG    1        8.505   0.969  -1.742  0.00  0.00    +0.147 HD
ENDBRANCH  16  20
ENDBRANCH   7  10
BRANCH   6  23
ATOM     23  N   LIG    1       -1.923  -4.240  -1.341  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1       -1.427  -4.935  -1.881  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -2.797  -3.897  -1.712  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
BRANCH   4  26
ATOM     26  N   LIG    1        2.461  -2.787  -0.916  0.00  0.00    -0.342 N 
ATOM     27  H   LIG    1        3.020  -2.099  -1.410  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1        2.539  -3.720  -1.310  0.00  0.00    +0.144 HD
ENDBRANCH   4  26
BRANCH   1  29
ATOM     29  C   LIG    1       -2.335   0.902  -0.110  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1       -3.099   0.862  -1.432  0.00  0.00    +0.033 C 
BRANCH  29  31
ATOM     31  C   LIG    1       -3.102   0.328   1.101  0.00  0.00    +0.029 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -4.607   1.106   2.969  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -4.404   1.081   1.450  0.00  0.00    -0.015 C 
ATOM     34  C   LIG    1       -5.631   0.434   0.801  0.00  0.00    +0.007 C 
ENDBRANCH  31  33
ENDBRANCH  29  31
ENDBRANCH   1  29
TORSDOF 7