REMARK  Name = BDB014922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -7.479   2.617   0.232  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -6.308   2.053  -0.397  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -6.168   2.327  -1.355  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -5.152   1.927   0.331  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.078   1.371  -0.345  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -2.774   1.486   0.337  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1       -1.766   0.558  -0.239  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.416   0.316   0.125  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1        0.127  -0.599  -0.684  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -0.851  -0.958  -1.538  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1       -2.005  -0.270  -1.316  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -3.304  -0.349  -2.022  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.087   0.955  -1.765  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -5.085   2.280   1.506  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -0.548  -1.974  -2.538  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1       -1.490  -3.177  -2.482  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -1.048  -4.240  -3.483  0.00  0.00    +0.162 C 
ATOM     18  O   LIG    1       -0.375  -3.704  -4.623  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1       -0.848  -2.419  -5.006  0.00  0.00    +0.162 C 
ATOM     20  C   LIG    1       -0.454  -1.390  -3.955  0.00  0.00    +0.055 C 
ENDBRANCH  10  15
BRANCH   8  21
ATOM     21  N   LIG    1        0.178   0.963   1.155  0.00  0.00    -0.296 N 
ATOM     22  H   LIG    1       -0.382   1.609   1.705  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.489   0.894   1.681  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1        1.810   1.699   2.786  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        0.862   2.498   3.306  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        3.076   1.702   3.369  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        4.082   0.882   2.854  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1        3.782   0.076   1.748  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        2.502   0.084   1.170  0.00  0.00    +0.027 A 
BRANCH  27  30
ATOM     30  C   LIG    1        5.406   0.881   3.455  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        6.291  -0.177   3.436  0.00  0.00    +0.116 A 
ATOM     32  N   LIG    1        7.398   0.233   4.121  0.00  0.00    -0.274 N 
ATOM     33  C   LIG    1        8.596  -0.530   4.374  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        7.302   1.488   4.593  0.00  0.00    -0.179 NA
ATOM     35  C   LIG    1        6.090   1.880   4.189  0.00  0.00    +0.142 A 
ENDBRANCH  27  30
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4