REMARK  Name = BDB065421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.356   0.501   0.842  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1        1.316   1.612   0.104  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1        0.101   2.099  -0.190  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -1.060   1.540   0.200  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1       -1.010   0.421   0.941  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1        0.212  -0.121   1.297  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.211  -0.179   1.381  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -2.306  -1.613   1.054  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1       -3.677  -2.219   1.375  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1       -4.747  -1.995   0.325  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1       -4.909  -0.795  -0.396  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -5.929  -0.718  -1.367  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -6.800  -1.781  -1.593  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.667  -2.948  -0.854  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.030   0.431  -0.233  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1       -5.653  -3.052   0.096  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.420   0.635   1.156  0.00  0.00    +0.111 C 
ENDBRANCH   5   7
BRANCH   3  18
ATOM     18  C   LIG    1        0.028   3.321  -1.001  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        1.175   3.961  -1.475  0.00  0.00    +0.122 A 
ATOM     20  N   LIG    1        1.186   5.092  -2.231  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1       -0.012   5.626  -2.538  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -1.217   5.085  -2.127  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.190   3.924  -1.354  0.00  0.00    +0.014 A 
ENDBRANCH   3  18
BRANCH   1  24
ATOM     24  N   LIG    1        2.636   0.032   1.165  0.00  0.00    -0.328 N 
ATOM     25  H   LIG    1        3.259   0.706   0.705  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1        2.920  -1.319   0.675  0.00  0.00    +0.114 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.301  -1.772   1.137  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.403  -1.083   0.376  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1        5.248  -0.190  -0.444  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.606  -1.608   0.745  0.00  0.00    -0.465 OA
BRANCH  30  32
ATOM     31  C   LIG    1        8.990  -1.687   0.602  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        7.733  -1.011   0.091  0.00  0.00    +0.229 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8