REMARK  Name = BDB007095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567  -0.874   1.299  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.268  -1.341   0.010  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.078  -1.525  -0.366  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        1.703  -1.977  -1.560  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        3.061  -1.962  -1.353  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.293  -1.506  -0.078  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.092  -1.247   0.557  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        1.804  -0.799   1.857  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.463  -0.622   2.210  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.886  -0.350   0.764  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.548  -0.084  -0.150  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.971  -0.660   1.748  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -2.256  -0.728   2.938  0.00  0.00    -0.270 OA
BRANCH  10  15
ATOM     14  C   LIG    1       -5.063  -1.291   1.458  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -4.269  -0.035   1.084  0.00  0.00    +0.100 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.901   0.714  -0.080  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -5.186   2.084   0.046  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -5.747   2.795  -1.017  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -6.018   2.140  -2.211  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1       -6.555   2.823  -3.231  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -5.737   0.789  -2.365  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.176   0.076  -1.303  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        4.622  -1.368   0.506  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.291  -0.096   0.056  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        6.250  -0.129  -0.964  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1        6.582  -1.299  -1.527  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.876   1.028  -1.411  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        6.535   2.241  -0.833  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        7.130   3.365  -1.254  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.582   2.311   0.179  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        4.958   1.144   0.625  0.00  0.00    +0.011 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 5