REMARK  Name = BDB008422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.047   0.386   0.041  0.00  0.00    +0.031 C 
ATOM      2  C   LIG    1       -0.561  -0.175  -1.273  0.00  0.00    +0.062 C 
ATOM      3  C   LIG    1       -2.040  -0.243  -1.118  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.727  -0.283   0.077  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.050  -0.278   1.341  0.00  0.00    +0.071 A 
ATOM      6  N   LIG    1       -2.623  -0.279   2.501  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -3.956  -0.273   2.775  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -4.142  -0.266   3.775  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1       -5.136  -0.309   2.061  0.00  0.00    +0.272 A 
ATOM     10  C   LIG    1       -5.231  -0.332   0.592  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -6.491  -0.364  -0.037  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -6.604  -0.372  -1.429  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -5.469  -0.343  -2.242  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -4.224  -0.311  -1.606  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1       -6.191  -0.318   2.705  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -4.095  -0.310  -0.213  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1       -2.951  -0.272  -2.136  0.00  0.00    -0.357 N 
ATOM     18  H   LIG    1       -2.738  -0.258  -3.125  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -0.521  -0.331   1.292  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1  23
ATOM     20  C   LIG    1        4.436   0.345  -0.082  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        3.691   1.536  -0.089  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        2.288   1.547  -0.043  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        1.563   0.355   0.002  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        2.279  -0.842  -0.009  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.682  -0.841  -0.055  0.00  0.00    +0.023 A 
BRANCH  20  27
ATOM     26  C   LIG    1        6.550  -0.892   0.194  0.00  0.00    +0.129 C 
ATOM     27  N   LIG    1        5.835   0.338  -0.145  0.00  0.00    -0.336 N 
ATOM     28  C   LIG    1        6.560   1.579   0.123  0.00  0.00    +0.129 C 
ENDBRANCH  20  27
ENDBRANCH   1  23
TORSDOF 2