REMARK  Name = BDB065221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.189   0.866   1.433  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.000   1.481   0.808  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.086   0.415   0.156  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.316  -0.649   1.109  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.895  -1.245   1.721  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.810  -0.193   2.397  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.821   0.375  -0.580  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.807   0.195   0.761  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.609   0.373   1.369  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.634   0.254   2.708  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.388   0.701   0.733  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.488   0.893  -0.652  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.704   0.726  -1.320  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.531  -0.281  -0.866  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.169  -0.179  -0.420  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.954  -0.180   0.575  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.140   0.183  -1.263  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.263   0.348  -2.471  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.116  -1.694   0.449  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.486  -1.211   0.021  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -3.367  -0.652   0.961  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -4.630  -0.215   0.563  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1       -5.501   0.350   1.512  0.00  0.00    -0.307 N 
ATOM     24  H   LIG    1       -5.198   0.434   2.473  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -6.769   0.820   1.250  0.00  0.00    +0.332 A 
ATOM     26  N   LIG    1       -7.155   0.688  -0.099  0.00  0.00    -0.269 N 
ATOM     27  C   LIG    1       -6.371   0.146  -1.109  0.00  0.00    +0.060 A 
ATOM     28  C   LIG    1       -7.096   0.192  -2.285  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -8.351   0.775  -1.995  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -8.364   1.070  -0.652  0.00  0.00    +0.096 A 
ATOM     31  O   LIG    1       -7.529   1.312   2.073  0.00  0.00    -0.246 OA
ATOM     32  C   LIG    1       -5.038  -0.334  -0.774  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       -4.169  -0.894  -1.711  0.00  0.00    +0.012 A 
ATOM     34  C   LIG    1       -2.901  -1.331  -1.314  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4