REMARK  Name = BDB013935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.955  -0.824   0.128  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.904   0.310   0.131  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -1.276   1.491   0.128  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.446  -0.056   0.135  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.874  -1.417   0.005  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.292  -2.268  -0.960  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        0.716  -3.603  -1.061  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.716  -4.094  -0.225  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.301  -3.258   0.718  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.744  -1.754  -1.925  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        1.884  -1.929   0.830  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.080  -1.472  -1.249  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.626  -0.255   1.856  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -3.245  -0.253   0.527  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -3.533   0.558  -0.007  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -3.031  -0.889   2.727  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -4.844   0.646   2.167  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -4.311   1.994   2.651  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -6.837   0.719   3.598  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -5.705  -0.060   3.133  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -5.125  -0.359   3.922  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        1.440   0.996   0.427  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.615   1.056  -0.549  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        2.415   1.395  -1.927  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1        3.524   1.361  -2.808  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1        3.348   1.665  -4.168  0.00  0.00    +0.131 A 
ATOM     27  C   LIG    1        2.111   2.022  -4.688  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        1.017   2.089  -3.841  0.00  0.00    +0.003 A 
ATOM     29  F   LIG    1        4.397   1.625  -5.007  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.793   1.035  -2.318  0.00  0.00    +0.015 A 
ATOM     31  C   LIG    1        4.994   0.761  -0.968  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1        1.170   1.785  -2.484  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1        3.921   0.778  -0.077  0.00  0.00    +0.125 A 
BRANCH  33  34
ATOM     34  O   LIG    1        4.049   0.549   1.270  0.00  0.00    -0.495 OA
ATOM     35  C   LIG    1        5.342   0.235   1.772  0.00  0.00    +0.277 C 
ENDBRANCH  33  34
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6