REMARK  Name = BDB021829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.422   1.479  -1.376  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.490   0.630  -1.066  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.152  -0.558  -0.467  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.198  -0.638  -0.182  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.646   0.957  -1.329  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.990  -1.650  -0.108  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -2.428  -2.756   0.611  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -3.277  -3.836   0.956  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.738  -4.917   1.658  0.00  0.00    +0.119 A 
ATOM     10  N   LIG    1       -1.448  -5.022   2.042  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1       -0.648  -3.995   1.711  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -4.633  -3.824   0.599  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -5.163  -2.752  -0.103  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.075  -2.871   1.016  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -4.348  -1.677  -0.455  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  19
ATOM     16  N   LIG    1        2.385  -0.086  -0.120  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1        1.904   1.131   0.554  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        0.396   1.298   0.374  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        0.026   1.280  -1.114  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1        0.635   0.084  -1.856  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        2.133  -0.020  -1.568  0.00  0.00    +0.086 C 
BRANCH  16  22
ATOM     22  C   LIG    1        3.796  -0.379   0.231  0.00  0.00    +0.054 C 
ATOM     23  C   LIG    1        4.832   0.543  -0.432  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     24  C   LIG    1        4.170  -1.854  -0.052  0.00  0.00    +0.018 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.283  -2.821   2.138  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        3.269  -2.898   0.619  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
BRANCH   1  27
ATOM     27  C   LIG    1       -1.778   2.767  -1.990  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.666   3.921  -1.019  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -2.560   4.031   0.056  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.454   5.087   0.963  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.455   6.045   0.803  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.563   5.950  -0.264  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.667   4.895  -1.172  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7