REMARK  Name = BDB003326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.003  -1.040   0.094  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1        0.292  -0.551  -0.244  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.392  -1.429  -0.373  0.00  0.00    -0.009 A 
ATOM      4  C   LIG    1        2.666  -0.915  -0.712  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        2.872   0.446  -0.959  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        1.780   1.307  -0.841  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        1.260  -2.915  -0.058  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -0.207  -3.336   0.052  0.00  0.00    +0.043 C 
ATOM      9  C   LIG    1        0.517   0.816  -0.487  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.970  -2.295   0.856  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.445   0.615   2.179  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -2.409  -0.165   1.800  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1       -2.108  -0.232   0.482  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1       -2.868   0.456  -0.506  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.942   1.263  -0.068  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1       -4.722   1.965  -1.002  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -4.458   1.872  -2.369  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.417   1.071  -2.819  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.635   0.369  -1.900  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.226   1.345   1.296  0.00  0.00    +0.041 A 
BRANCH  11  24
ATOM     21  C   LIG    1       -4.170   2.084   5.590  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -4.024   1.911   4.166  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -3.770   2.722   3.618  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -3.729   0.657   3.648  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1       -3.686  -0.360   4.331  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1        4.194   0.938  -1.312  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        4.456   2.089  -2.028  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        5.814   2.169  -2.146  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        6.568   3.199  -2.819  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.465   1.151  -1.559  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.479   0.402  -1.056  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
BRANCH   7  32
ATOM     32  N   LIG    1        1.983  -3.732  -1.050  0.00  0.00    -0.312 NA
ATOM     33  H   LIG    1        1.503  -3.670  -1.947  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1        2.133  -5.124  -0.658  0.00  0.00    +0.101 C 
ENDBRANCH   7  32
TORSDOF 4