REMARK  Name = BDB004020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.840  -0.000   0.323  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.377   0.034  -0.244  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.466  -0.033   0.545  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.345  -0.169   1.907  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.067  -0.202   2.407  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.030  -0.110   1.642  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.901   0.082  -0.575  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.522   0.136  -1.509  0.00  0.00    +0.155 HD
BRANCH   7  12
ATOM      9  C   LIG    1        6.124   0.105  -0.318  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        5.360   0.065   0.851  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.961   0.055   0.784  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.292   0.094  -0.443  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.075   0.149  -1.609  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.475   0.158  -1.554  0.00  0.00    +0.015 A 
BRANCH   9  18
ATOM     15  N   LIG    1        8.326  -0.324  -1.279  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        9.319  -0.441  -1.119  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        7.906  -0.886  -2.004  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        7.606   0.110  -0.199  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        8.171   0.452   0.832  0.00  0.00    -0.270 OA
ENDBRANCH   9  18
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  N   LIG    1       -2.685   0.018  -0.129  0.00  0.00    -0.299 N 
ATOM     21  H   LIG    1       -2.524  -0.137  -1.129  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.037   0.216   0.208  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -5.073  -0.197  -0.672  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1       -6.420  -0.104  -0.274  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.760   0.443   0.962  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.760   0.907   1.805  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.418   0.791   1.432  0.00  0.00    +0.024 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.742  -0.725  -2.035  0.00  0.00    +0.243 C 
ATOM     29  O   LIG    1       -3.611  -1.081  -2.347  0.00  0.00    -0.270 OA
ATOM     30  N   LIG    1       -5.734  -0.742  -2.980  0.00  0.00    -0.325 N 
ATOM     31  H   LIG    1       -6.556  -0.161  -2.904  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -5.430  -0.974  -3.918  0.00  0.00    +0.145 HD
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 6