REMARK  Name = BDB021463
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.842  -0.635   0.724  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        3.073  -1.402   1.608  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.991  -0.861   2.335  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        1.429  -1.813   3.134  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.576  -1.387   4.179  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.692  -0.797   3.604  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.558   0.640   3.427  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.500   1.250   2.760  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.502   2.476   2.625  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.639   0.481   2.153  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        2.434   1.248   1.266  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.518   0.708   0.568  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        4.992  -1.253  -0.042  0.00  0.00    +0.119 C 
BRANCH  13  18
ATOM     14  C   LIG    1        5.187  -2.950  -4.583  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        5.567  -1.837  -3.714  0.00  0.00    -0.303 NA
ATOM     16  C   LIG    1        6.461  -2.286  -2.627  0.00  0.00    +0.099 C 
ATOM     17  C   LIG    1        5.767  -3.053  -1.475  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1        4.585  -2.378  -0.899  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1        3.688  -1.965  -1.999  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        4.376  -1.181  -3.142  0.00  0.00    +0.099 C 
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1       -1.677   1.490   3.861  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.614   1.952   2.730  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.667   2.746   3.302  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -4.377   2.735   2.630  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.266   0.770   1.980  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.322   1.227   1.044  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -3.726   1.860  -0.151  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -4.726   2.170  -1.247  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.970   1.518  -1.300  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -6.866   1.801  -2.339  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.519   2.707  -3.337  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.280   3.342  -3.302  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.365   0.565  -0.202  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -4.386   3.072  -2.264  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.164   0.090   0.627  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7