REMARK  Name = BDB065420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.142  -0.818  -0.950  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1       -2.656   0.402  -0.769  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -1.793   1.389  -0.484  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -0.464   1.230  -0.367  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1        0.059   0.009  -0.575  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -0.780  -1.048  -0.880  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        1.456  -0.109  -0.496  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1        1.989   0.486   0.749  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        3.415   1.023   0.585  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        4.466  -0.058   0.681  0.00  0.00    -0.043 A 
ATOM     11  C   LIG    1        4.522  -1.095  -0.265  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        5.515  -2.082  -0.147  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        6.437  -2.042   0.898  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        6.381  -1.016   1.835  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        3.542  -1.152  -1.412  0.00  0.00    +0.054 C 
ATOM     16  C   LIG    1        5.403  -0.028   1.726  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.087  -1.352  -0.968  0.00  0.00    +0.111 C 
ENDBRANCH   5   7
BRANCH   3  18
ATOM     18  C   LIG    1       -2.340   2.736  -0.272  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.710   2.993  -0.333  0.00  0.00    +0.122 A 
ATOM     20  N   LIG    1       -4.291   4.207  -0.142  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1       -3.463   5.237   0.121  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -2.088   5.110   0.204  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.528   3.848   0.006  0.00  0.00    +0.014 A 
ENDBRANCH   3  18
BRANCH   1  24
ATOM     24  N   LIG    1       -2.979  -1.893  -1.283  0.00  0.00    -0.328 N 
ATOM     25  H   LIG    1       -2.745  -2.720  -0.730  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.423  -1.645  -1.285  0.00  0.00    +0.114 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.024  -1.528   0.112  0.00  0.00    +0.139 C 
BRANCH  27  29
ATOM     28  O   LIG    1       -4.137  -3.726   0.686  0.00  0.00    -0.251 OA
ATOM     29  C   LIG    1       -4.956  -2.835   0.847  0.00  0.00    +0.306 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -5.908  -2.941   1.794  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1       -5.739  -3.808   2.219  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7