REMARK  Name = BDB052258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.581   0.451   0.422  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        4.254  -0.017   0.348  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        4.021  -1.387   0.309  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        2.656  -1.500   0.232  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        2.143  -2.365   0.158  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        2.101  -0.239   0.236  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1        5.038  -2.344   0.341  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        6.351  -1.867   0.419  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1        3.055   0.669   0.301  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        6.621  -0.496   0.459  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.661   0.015   0.165  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        0.169   1.157  -0.473  0.00  0.00    +0.134 A 
ATOM     13  F   LIG    1        1.002   2.031  -1.059  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -1.200   1.414  -0.545  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -2.132   0.540   0.038  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -1.643  -0.611   0.671  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -0.265  -0.868   0.739  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.616   0.859  -0.089  0.00  0.00    +0.084 C 
ATOM     19  N   LIG    1       -4.105   0.383  -1.396  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -3.707  -0.538  -1.582  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1       -5.561   0.280  -1.417  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -6.053  -0.816  -0.471  0.00  0.00    +0.015 C 
ATOM     23  C   LIG    1       -5.242  -0.896   0.825  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.496   0.407   1.103  0.00  0.00    +0.023 C 
ENDBRANCH  15  18
ENDBRANCH   6  11
BRANCH   1  28
ATOM     25  N   LIG    1        4.868   2.777   0.390  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        3.906   2.453   0.294  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        5.059   3.767   0.386  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1        5.907   1.895   0.459  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1        7.066   2.287   0.543  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3