REMARK  Name = BDB062518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.282  -1.438   0.963  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.381  -0.725   0.201  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1       -0.697   0.169  -0.161  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.144  -2.597   1.336  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -4.757  -0.329   1.609  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -4.075   0.882   1.671  0.00  0.00    -0.313 N 
ATOM      7  C   LIG    1       -2.705   0.640   1.499  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1       -1.821   1.760   1.625  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -2.307   3.001   1.829  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1       -3.740   3.222   1.941  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -1.426   4.206   1.966  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -2.522  -0.711   1.248  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -4.575   2.173   1.873  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1       -3.807  -1.309   1.364  0.00  0.00    +0.044 A 
BRANCH   5  16
ATOM     15  C   LIG    1       -6.722  -1.921   1.719  0.00  0.00    +0.093 C 
ATOM     16  C   LIG    1       -6.194  -0.506   1.782  0.00  0.00    +0.177 C 
ATOM     17  O   LIG    1       -6.983   0.419   1.974  0.00  0.00    -0.291 OA
ENDBRANCH   5  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1        0.898  -1.126  -0.239  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        1.585  -0.241  -1.083  0.00  0.00    +0.152 A 
ATOM     20  F   LIG    1        0.977   0.917  -1.400  0.00  0.00    -0.203 F 
ATOM     21  C   LIG    1        2.858  -0.533  -1.587  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        3.444  -1.755  -1.222  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        2.788  -2.655  -0.365  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1        1.509  -2.328   0.118  0.00  0.00    +0.032 A 
BRANCH  21  25
ATOM     25  C   LIG    1        3.546   0.394  -2.474  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.911   0.450  -2.672  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        5.132   1.448  -3.576  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        6.405   1.878  -4.101  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        4.008   2.062  -3.981  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        3.046   1.421  -3.312  0.00  0.00    +0.143 A 
ENDBRANCH  21  25
BRANCH  23  31
ATOM     31  C   LIG    1        3.392  -3.981   0.026  0.00  0.00    +0.191 C 
BRANCH  31  32
ATOM     32  O   LIG    1        4.760  -4.070  -0.346  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1        5.070  -4.941  -0.047  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  23  31
ENDBRANCH   2  18
TORSDOF 6