REMARK  Name = BDB040783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.827  -0.397   2.899  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.012   0.796   2.406  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.104  -0.138   2.279  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.206  -1.261   2.152  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.311   0.061   1.578  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -2.826   1.347   1.382  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.032   1.536   0.706  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -4.490   2.787   0.553  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.769   0.463   0.209  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.254  -0.817   0.420  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -4.934  -1.887  -0.018  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.049  -1.022   1.093  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.076   0.690  -0.516  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -6.082   0.078  -1.916  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -5.091   0.039  -2.643  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -7.296  -0.368  -2.383  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -7.290  -0.746  -3.321  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.530  -0.216  -1.805  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.555  -0.526  -2.405  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -8.558   0.425  -0.440  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.259   0.172   0.309  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  N   LIG    1        2.187  -0.459   2.445  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        2.881  -0.320   3.170  0.00  0.00    +0.151 HD
BRANCH  22  26
ATOM     24  C   LIG    1        4.116  -0.125  -0.321  0.00  0.00    +0.250 A 
ATOM     25  O   LIG    1        3.981  -0.236   1.040  0.00  0.00    -0.405 OA
ATOM     26  C   LIG    1        2.626  -0.338   1.182  0.00  0.00    +0.308 A 
ATOM     27  N   LIG    1        1.992  -0.289   0.033  0.00  0.00    -0.092 NA
ATOM     28  N   LIG    1        2.956  -0.150  -0.945  0.00  0.00    -0.106 NA
BRANCH  24  32
ATOM     29  C   LIG    1        8.062   0.257  -1.942  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1        6.941   0.262  -2.772  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        5.655   0.137  -2.237  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1        5.465   0.004  -0.855  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1        6.598  -0.001  -0.027  0.00  0.00    +0.017 A 
ATOM     34  C   LIG    1        7.886   0.124  -0.565  0.00  0.00    +0.046 A 
BRANCH  29  36
ATOM     35  C   LIG    1       10.432   0.383  -1.792  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1        9.257   0.387  -2.593  0.00  0.00    -0.495 OA
ENDBRANCH  29  36
ENDBRANCH  24  32
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 6