REMARK  Name = BDB035339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.214  -1.636   0.552  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.000  -2.199   0.894  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.262  -1.659   1.009  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        2.173  -2.671   1.499  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        3.479  -2.438   1.654  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        4.021  -1.092   1.315  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        3.102  -0.168   0.814  0.00  0.00    -0.309 N 
ATOM      8  O   LIG    1        5.220  -0.878   1.476  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        1.412  -3.937   1.721  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        1.752  -0.467   0.652  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        0.098  -3.661   0.997  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1       -2.110  -2.328   0.045  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -1.528  -0.168   0.942  0.00  0.00    +0.165 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -1.794   1.086  -1.180  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1       -2.356   0.355  -0.149  0.00  0.00    -0.302 N 
ATOM     16  H   LIG    1       -3.160  -0.213  -0.390  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1       -0.639   1.505  -1.131  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -2.737   1.313  -2.386  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1       -1.901   1.610  -3.633  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -4.757   2.139  -1.264  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -3.647   2.456  -2.151  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -4.025   2.768  -3.045  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH  13  15
BRANCH  13  23
ATOM     23  C   LIG    1       -2.238  -0.048   2.331  0.00  0.00    -0.011 C 
ATOM     24  C   LIG    1       -3.589  -0.786   2.381  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -2.492   1.445   2.639  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -1.335  -0.605   3.450  0.00  0.00    +0.013 C 
ENDBRANCH  13  23
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1        3.592   1.140   0.378  0.00  0.00    +0.160 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.843   1.190  -1.114  0.00  0.00    -0.027 A 
ATOM     29  C   LIG    1        5.032   0.670  -1.651  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        5.255   0.695  -3.029  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        4.290   1.236  -3.870  0.00  0.00    +0.123 A 
ATOM     32  F   LIG    1        4.505   1.257  -5.192  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        3.105   1.751  -3.361  0.00  0.00    +0.038 A 
ATOM     34  C   LIG    1        2.879   1.728  -1.984  0.00  0.00    +0.008 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 7