REMARK  Name = BDB007292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.879  -2.474   1.032  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -3.817  -1.597   1.201  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -3.505  -1.044   2.451  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1       -2.373  -0.197   2.426  0.00  0.00    -0.294 N 
ATOM      5  H   LIG    1       -2.600   0.712   2.836  0.00  0.00    +0.187 HD
ATOM      6  N   LIG    1       -2.076  -0.107   1.038  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1       -4.241  -1.356   3.581  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.315  -2.231   3.444  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.820  -1.018   0.293  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1       -2.671  -1.319  -0.877  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -5.629  -2.779   2.188  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.765   0.425   0.666  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1        0.317  -0.662   0.633  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        1.435  -0.353  -0.370  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1        1.728   1.087  -0.390  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        0.570   1.836  -0.926  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1       -0.792   1.185  -0.657  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1        2.993   1.423  -1.092  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        3.268   2.944  -1.124  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        4.535   3.311  -1.906  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1        5.545   2.181  -1.976  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        6.777   2.688  -2.222  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        5.245   1.374  -3.027  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        5.565   1.354  -0.712  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1        4.204   0.709  -0.432  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  29
ATOM     26  N   LIG    1       -4.611  -2.950  -1.376  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -3.768  -2.384  -1.452  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -4.948  -3.396  -2.217  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -5.327  -3.118  -0.233  0.00  0.00    +0.242 C 
ATOM     30  O   LIG    1       -6.342  -3.809  -0.256  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 3