REMARK  Name = BDB046149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.280  -0.966   1.030  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.852   0.330   1.348  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.466   0.673   1.017  0.00  0.00    +0.048 A 
ATOM      4  N   LIG    1       -1.137   1.852   1.205  0.00  0.00    -0.354 N 
ATOM      5  H   LIG    1       -0.754   2.694   1.623  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -2.431   1.771   0.740  0.00  0.00    +0.060 A 
ATOM      7  C   LIG    1       -2.603   0.489   0.211  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -3.866   0.165  -0.356  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -4.883   1.142  -0.355  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.676   2.408   0.191  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -3.444   2.747   0.762  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1       -1.357  -0.213   0.408  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.902  -1.524   0.134  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        0.411  -1.891   0.454  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  20
ATOM     15  C   LIG    1        6.673  -0.169  -1.217  0.00  0.00    +0.105 C 
ATOM     16  N   LIG    1        6.158   0.685  -0.149  0.00  0.00    -0.302 NA
ATOM     17  C   LIG    1        6.147  -0.013   1.153  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1        5.065  -1.099   1.302  0.00  0.00    +0.123 C 
ATOM     19  N   LIG    1        3.732  -0.625   0.926  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        2.655  -1.397   1.371  0.00  0.00    +0.247 C 
ATOM     21  O   LIG    1        2.786  -2.414   2.049  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        3.681   0.123  -0.338  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1        4.799   1.179  -0.447  0.00  0.00    +0.103 C 
ENDBRANCH   1  20
BRANCH   8  24
ATOM     24  C   LIG    1       -4.105  -1.150  -0.950  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1       -4.811  -2.144  -0.259  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1       -5.282  -1.903   0.974  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1       -5.043  -3.396  -0.824  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -4.573  -3.676  -2.105  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -3.876  -2.700  -2.816  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.645  -1.445  -2.244  0.00  0.00    +0.011 A 
ENDBRANCH   8  24
BRANCH  11  31
ATOM     31  C   LIG    1       -3.163   4.078   1.365  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1       -2.016   4.441   1.603  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1       -4.228   4.872   1.688  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1       -5.164   4.505   1.783  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -4.009   5.709   2.214  0.00  0.00    +0.145 HD
ENDBRANCH  11  31
TORSDOF 3