REMARK  Name = BDB012966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.865   1.742  -0.449  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.099   0.790  -0.169  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.510   1.156  -0.175  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.261  -0.158   0.083  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.262  -0.931   0.944  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.080  -0.564   0.326  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.542   2.916  -0.633  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.325   0.530  -0.645  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.487   1.851  -0.509  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.232   2.326  -0.464  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.087   3.329  -0.396  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.256   1.363  -0.506  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.951   0.180  -0.658  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.587  -1.381   0.377  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.523  -0.368  -0.768  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        5.552  -1.084  -2.120  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.544  -0.004   0.736  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -3.787  -0.637   1.493  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.586   0.625   0.102  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -4.488   1.209  -0.969  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.893   0.583   0.797  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -6.268  -0.451   1.815  0.00  0.00    +0.179 C 
ATOM     23  F   LIG    1       -5.335  -1.416   2.151  0.00  0.00    -0.245 F 
ATOM     24  C   LIG    1       -6.868  -0.524   0.450  0.00  0.00    +0.053 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4