REMARK  Name = BDB014032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.058  -0.223   0.197  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.862   0.723   0.274  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -1.075   1.939   0.397  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.428   0.200   0.184  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.768  -1.201   0.297  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.012  -2.268  -0.233  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        0.475  -3.599  -0.048  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.647  -3.891   0.638  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        2.395  -2.853   1.157  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.244  -2.198  -1.073  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1        1.960  -1.536   0.986  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -1.993  -0.887  -1.167  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -4.491   0.016   0.630  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1       -3.273   0.579   0.336  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1       -3.143   1.587   0.344  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -4.642  -1.205   0.685  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1       -5.663   1.020   0.798  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1       -5.340   2.161   1.763  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1       -6.991  -0.132   2.533  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -6.917   0.303   1.142  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -6.941  -0.538   0.558  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1        1.515   1.206   0.201  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.592   1.011  -0.863  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1        3.982   1.231  -0.610  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        4.922   1.020  -1.660  0.00  0.00    -0.000 A 
ATOM     26  C   LIG    1        6.307   1.216  -1.404  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        6.757   1.624  -0.144  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        5.848   1.849   0.876  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.442   0.629  -2.931  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        3.085   0.460  -3.181  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.485   1.657   0.644  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1        2.170   0.659  -2.160  0.00  0.00    +0.006 A 
BRANCH  26  33
ATOM     33  C   LIG    1        7.300   1.008  -2.423  0.00  0.00    +0.100 C 
ATOM     34  N   LIG    1        8.107   0.842  -3.240  0.00  0.00    -0.191 NA
ENDBRANCH  26  33
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6