REMARK  Name = BDB021422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.351  -0.164   0.535  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -4.618  -1.024  -0.288  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -3.246  -1.284  -0.082  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1       -2.784  -2.155  -1.025  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -1.585  -2.852  -0.745  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.411  -1.899  -0.760  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.159  -1.385   0.574  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -1.112  -0.722   1.342  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.761  -0.150   2.380  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -2.568  -0.646   0.965  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -3.328   0.217   1.793  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -4.690   0.454   1.589  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -6.818   0.085   0.283  0.00  0.00    +0.038 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -6.596   2.388  -0.784  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -7.097   0.952  -0.961  0.00  0.00    -0.013 C 
ATOM     16  C   LIG    1       -8.599   0.963  -1.258  0.00  0.00    +0.007 C 
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  17
ATOM     17  C   LIG    1        1.255  -1.234   0.964  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.874   0.072   0.433  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.039  -0.000  -0.993  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.516   0.803  -1.264  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.210   0.416   1.140  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.216  -0.664   1.227  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.764  -1.086  -0.075  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.709  -0.088  -0.709  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.440   0.811   0.089  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.344   1.697  -0.512  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        7.534   1.678  -1.894  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.822   0.778  -2.684  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.203   0.873   1.579  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        5.917  -0.104  -2.096  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.341  -0.289   2.105  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7