REMARK  Name = BDB023963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.884  -4.665  -0.426  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.007  -3.169  -0.564  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.833  -2.429  -0.555  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.980  -0.978  -0.785  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.748  -0.256  -0.360  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.489   1.135  -0.245  0.00  0.00    +0.101 A 
ATOM      7  N   LIG    1        0.766   1.345   0.183  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.305   0.119   0.340  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.427  -0.875   0.020  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.600  -2.347   0.079  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -0.494  -3.013  -0.784  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.119  -2.651  -0.668  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.390   2.242  -0.526  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -1.636   3.219   0.469  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -2.525   4.261   0.181  0.00  0.00    +0.047 A 
ATOM     16  N   LIG    1       -2.596   5.062   1.299  0.00  0.00    -0.361 N 
ATOM     17  H   LIG    1       -3.164   5.895   1.372  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -1.792   4.568   2.290  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -3.179   4.385  -1.052  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1       -2.918   3.414  -2.021  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -1.186   3.431   1.808  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -2.042   2.366  -1.760  0.00  0.00    +0.133 A 
ATOM     23  F   LIG    1       -1.829   1.467  -2.734  0.00  0.00    -0.205 F 
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  C   LIG    1        2.696   0.039   0.769  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1        3.621  -0.425  -0.355  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1        5.075  -0.411   0.106  0.00  0.00    +0.162 C 
ATOM     27  O   LIG    1        5.237  -0.647   1.505  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        4.237  -1.493   2.057  0.00  0.00    +0.162 C 
ATOM     29  C   LIG    1        2.898  -0.770   2.059  0.00  0.00    +0.055 C 
ENDBRANCH   8  24
TORSDOF 2