REMARK  Name = BDB007098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.417  -1.783  -0.633  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.088  -2.275   0.640  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.247  -2.200   1.087  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -1.900  -2.600   2.284  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -3.232  -2.283   2.162  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1       -3.416  -1.688   0.937  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1       -2.217  -1.643   0.248  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -1.905  -1.166  -1.034  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.575  -1.250  -1.460  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1        2.815  -1.770  -0.207  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        2.578  -1.465   0.726  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1        1.813  -1.838  -1.152  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1        2.019  -1.906  -2.358  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1        4.205  -1.659  -0.590  0.00  0.00    +0.139 C 
BRANCH  14  18
ATOM     15  C   LIG    1        5.551   2.443  -0.256  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        5.811   1.526   0.764  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        5.396   0.194   0.654  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        4.680  -0.234  -0.470  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        4.362   0.702  -1.462  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        4.778   2.032  -1.343  0.00  0.00    +0.023 A 
BRANCH  15  21
ATOM     21  N   LIG    1        5.864   3.797  -0.084  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1        5.928   4.312  -0.956  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        6.666   3.957   0.517  0.00  0.00    +0.142 HD
ENDBRANCH  15  21
ENDBRANCH  14  18
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  24
ATOM     24  C   LIG    1       -4.706  -1.225   0.435  0.00  0.00    +0.159 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.848   0.272   0.537  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.005   1.044  -0.620  0.00  0.00    +0.131 A 
ATOM     27  F   LIG    1       -5.026   0.447  -1.820  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -5.145   2.425  -0.561  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1       -5.130   3.048   0.677  0.00  0.00    +0.126 A 
ATOM     30  F   LIG    1       -5.265   4.379   0.748  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.982   2.313   1.848  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -4.843   0.925   1.781  0.00  0.00    +0.011 A 
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 6