REMARK  Name = BDB032043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.777  -0.186  -0.016  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.487   0.143   0.314  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.430  -0.387  -0.468  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.823  -0.218  -0.362  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -3.438  -0.939  -1.405  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.403  -1.576  -2.118  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.556  -2.400  -3.281  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.628  -1.016  -1.661  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.191  -1.218  -1.536  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.105  -1.509  -1.808  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.100  -1.000  -1.052  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.429   0.686   0.616  0.00  0.00    +0.130 C 
ATOM     13  C   LIG    1       -4.053   1.950   0.002  0.00  0.00    +0.203 C 
ATOM     14  F   LIG    1       -3.333   2.352  -1.083  0.00  0.00    -0.242 F 
ATOM     15  C   LIG    1       -5.521   1.787  -0.386  0.00  0.00    +0.120 C 
ATOM     16  N   LIG    1       -6.329   1.252   0.717  0.00  0.00    -0.313 NA
ATOM     17  H   LIG    1       -7.293   1.157   0.393  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -5.841  -0.069   1.116  0.00  0.00    +0.083 C 
ATOM     19  C   LIG    1       -4.389  -0.019   1.586  0.00  0.00    +0.043 C 
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1        1.749   0.369   0.812  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        1.284   0.948   1.496  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        3.125   1.655   3.028  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        3.846   0.986   1.887  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        3.151   0.379   0.818  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        3.917  -0.233  -0.182  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        5.325  -0.235  -0.151  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.011   0.383   0.908  0.00  0.00    +0.071 A 
ATOM     28  N   LIG    1        7.354   0.409   0.984  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        8.055  -0.186  -0.006  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        7.475  -0.818  -1.088  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.088  -0.842  -1.159  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        5.256   0.979   1.905  0.00  0.00    +0.033 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 3