REMARK  Name = BDB042499
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.600  -0.050  -1.158  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.806  -0.285  -0.813  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1       -1.739  -0.068  -1.922  0.00  0.00    +0.089 C 
ATOM      4  C   LIG    1       -3.132  -0.627  -1.577  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -3.576  -0.253  -0.182  0.00  0.00    -0.039 C 
ATOM      6  C   LIG    1       -2.693   0.252   0.701  0.00  0.00    -0.007 C 
ATOM      7  C   LIG    1       -1.233   0.440   0.389  0.00  0.00    +0.112 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.993  -0.430   0.179  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -6.026   0.159  -0.565  0.00  0.00    +0.133 A 
ATOM     10  F   LIG    1       -5.744   0.934  -1.623  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -7.365  -0.017  -0.225  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -7.685  -0.802   0.886  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -6.676  -1.403   1.649  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1       -5.336  -1.214   1.292  0.00  0.00    +0.013 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -9.092  -0.998   1.255  0.00  0.00    +0.057 N 
ATOM     16  O   LIG    1       -9.334  -1.690   2.253  0.00  0.00    -0.126 OA
ATOM     17  O   LIG    1       -9.953  -0.458   0.546  0.00  0.00    -0.126 OA
ENDBRANCH  12  15
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.957   1.353  -1.676  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.442   1.484  -2.048  0.00  0.00    +0.054 C 
BRANCH  19  27
ATOM     20  C   LIG    1        6.126  -2.002  -0.417  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        6.023  -0.878   0.581  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        5.126   0.201   0.412  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1        5.081   1.220   1.387  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        4.138   2.351   1.208  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1        3.355   2.320   0.075  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        2.728   3.111  -0.024  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        3.382   1.333  -0.877  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        4.037   3.276   2.004  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        5.913   1.161   2.504  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        5.893   2.112   3.448  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        6.795   0.101   2.671  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        4.230   0.300  -0.751  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        6.851  -0.913   1.716  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6