REMARK  Name = BDB021319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.885  -0.535  -0.713  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.091  -0.784  -1.722  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.406  -0.879  -1.310  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -2.170  -1.086  -2.437  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.270  -1.127  -3.477  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.800  -0.761   0.039  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.894  -0.538   0.951  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.013  -0.946  -3.029  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.423  -0.440   0.553  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.115  -0.192  -1.458  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        4.377  -1.251  -1.990  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.003  -1.359  -1.752  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.341  -0.414  -0.960  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.089   0.647  -0.428  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.465   0.753  -0.670  0.00  0.00    +0.046 A 
BRANCH  10  16
ATOM     16  O   LIG    1        6.445  -0.216  -1.763  0.00  0.00    -0.490 OA
BRANCH  16  17
ATOM     17  C   LIG    1        7.219   0.975  -1.582  0.00  0.00    +0.257 C 
BRANCH  17  18
ATOM     18  C   LIG    1        8.055   0.893  -0.304  0.00  0.00    +0.200 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.999   1.160   2.039  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        7.280   1.314   0.823  0.00  0.00    -0.380 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -1.563  -1.324  -4.864  0.00  0.00    +0.121 C 
ATOM     22  N   LIG    1       -1.843  -1.489  -5.979  0.00  0.00    -0.189 NA
ENDBRANCH   5  21
BRANCH   6  23
ATOM     23  N   LIG    1       -3.138  -0.881   0.351  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.718  -1.402  -0.296  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.574  -1.013   1.731  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.066  -0.863   1.797  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.698   0.364   1.617  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.125   1.695   1.296  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.358   2.562   1.553  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.545   1.742   1.436  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.082   0.470   1.651  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.899  -0.623   1.859  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.289  -1.862   2.049  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.892  -1.972   2.016  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.344  -3.184   2.183  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 9