REMARK  Name = BDB021828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.056   1.910   1.350  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.400   1.934   1.757  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.135   0.832   1.400  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -1.655  -0.026   1.168  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.862   2.891   2.376  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        1.732  -1.241  -0.775  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        1.423  -1.549   0.629  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.054  -0.315   1.460  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.554   0.815   0.555  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.685   1.214  -0.409  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.485   0.000  -0.915  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        2.264  -2.411  -1.505  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.992  -2.275  -3.008  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        3.708  -2.855  -1.137  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        5.342  -1.280  -2.348  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        4.831  -2.699  -2.168  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.526   0.618   1.514  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1       -3.974  -0.692   1.198  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -5.349  -0.962   1.262  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -6.255   0.029   1.645  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.800   1.307   1.959  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.439   1.605   1.888  0.00  0.00    +0.025 A 
BRANCH  18  23
ATOM     23  N   LIG    1       -3.018  -1.655   0.784  0.00  0.00    -0.324 N 
ATOM     24  C   LIG    1       -2.878  -1.713  -0.695  0.00  0.00    +0.133 C 
ATOM     25  C   LIG    1       -3.416  -3.039  -1.254  0.00  0.00    +0.178 C 
ATOM     26  O   LIG    1       -2.770  -4.201  -0.707  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1       -2.308  -4.014   0.641  0.00  0.00    +0.178 C 
ATOM     28  C   LIG    1       -3.133  -2.985   1.427  0.00  0.00    +0.133 C 
ENDBRANCH  18  23
ENDBRANCH   3  17
BRANCH   1  29
ATOM     29  C   LIG    1        0.800   2.984   1.869  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1        1.055   4.114   0.892  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1        2.333   4.693   0.814  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        2.585   5.752  -0.061  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.561   6.256  -0.859  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.284   5.707  -0.776  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        0.031   4.649   0.098  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 8