REMARK  Name = BDB054360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.193   3.019   1.279  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.850   1.901   0.582  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -1.433   0.697   0.057  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1       -2.509   0.038  -0.493  0.00  0.00    -0.214 NA
ATOM      5  C   LIG    1       -3.528   0.852  -0.292  0.00  0.00    +0.228 A 
ATOM      6  O   LIG    1       -3.194   2.011   0.361  0.00  0.00    -0.440 OA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.931   0.684  -0.663  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -5.335  -0.481  -1.331  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -6.670  -0.673  -1.701  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -7.635   0.303  -1.415  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -7.237   1.466  -0.739  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -5.900   1.654  -0.371  0.00  0.00    +0.014 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -9.081   0.089  -1.791  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -9.785  -0.534  -0.806  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -9.744   1.252  -2.047  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -9.236  -0.678  -2.906  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   3  17
ATOM     17  C   LIG    1       -0.075   0.093   0.029  0.00  0.00    +0.059 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.152  -0.857   1.208  0.00  0.00    +0.006 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.495  -1.592   1.145  0.00  0.00    +0.001 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.700  -0.658   1.299  0.00  0.00    +0.008 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.042  -1.404   1.458  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        5.149  -0.393   1.790  0.00  0.00    +0.169 C 
ATOM     23  O   LIG    1        6.295  -0.624   0.978  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1        5.992  -0.502  -0.406  0.00  0.00    +0.267 C 
ATOM     25  C   LIG    1        7.209  -0.997  -1.184  0.00  0.00    +0.087 C 
ATOM     26  O   LIG    1        4.861  -1.305  -0.817  0.00  0.00    -0.340 OA
ATOM     27  C   LIG    1        4.450  -2.198   0.217  0.00  0.00    +0.169 C 
BRANCH  24  28
ATOM     28  C   LIG    1        5.692   0.954  -0.889  0.00  0.00    +0.365 C 
ATOM     29  O   LIG    1        6.248   1.970  -0.499  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        4.691   0.981  -1.817  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        4.355   0.060  -1.928  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 9