REMARK  Name = BDB012901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.452   1.446  -1.023  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.447   0.592  -0.609  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.940   0.898  -0.918  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.737  -0.315  -0.431  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.898  -0.778   0.763  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.531  -0.551   0.286  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.165   2.494  -1.606  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.893   0.368  -0.336  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.046   1.665  -0.624  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.802   2.082  -0.903  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.658   3.047  -1.185  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.833   1.122  -0.762  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.532  -0.019  -0.419  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.769  -0.021   1.287  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.071  -0.497   0.011  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -7.067  -0.593  -1.146  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.112  -0.010  -0.082  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        3.502   0.864  -0.412  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.990  -1.019   0.262  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        3.660  -2.195   0.360  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.409  -0.619   0.477  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        6.411  -1.575   0.255  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        7.753  -1.243   0.447  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        8.087   0.039   0.870  0.00  0.00    +0.123 A 
ATOM     25  F   LIG    1        9.373   0.358   1.056  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        7.104   0.994   1.109  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        5.759   0.666   0.917  0.00  0.00    +0.016 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4