REMARK  Name = BDB010401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.757   2.767   0.472  0.00  0.00    +0.201 A 
ATOM      2  N   LIG    1        0.476   1.420   0.590  0.00  0.00    -0.307 N 
ATOM      3  C   LIG    1       -0.843   1.232   0.233  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -1.269   2.506  -0.117  0.00  0.00    +0.185 A 
ATOM      5  N   LIG    1       -2.512   2.801  -0.525  0.00  0.00    -0.203 NA
ATOM      6  C   LIG    1       -3.305   1.731  -0.538  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -2.990   0.454  -0.213  0.00  0.00    -0.208 NA
ATOM      8  C   LIG    1       -1.733   0.158   0.173  0.00  0.00    +0.149 A 
ATOM      9  N   LIG    1       -0.275   3.429   0.009  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -4.708   1.936  -0.965  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -5.538   0.881  -1.004  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1       -5.316  -0.071  -0.768  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1       -6.727   1.333  -1.419  0.00  0.00    +0.440 A 
ATOM     14  O   LIG    1       -7.733   0.659  -1.577  0.00  0.00    -0.221 OA
ATOM     15  O   LIG    1       -6.626   2.684  -1.637  0.00  0.00    -0.295 OA
ATOM     16  N   LIG    1       -5.273   3.043  -1.326  0.00  0.00    -0.051 NA
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1        1.984   3.272   0.792  0.00  0.00    -0.304 N 
ATOM     18  C   LIG    1        2.054   3.734   2.190  0.00  0.00    +0.132 C 
BRANCH  17  20
ATOM     19  C   LIG    1        3.972   4.383  -0.175  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        2.452   4.298  -0.169  0.00  0.00    +0.104 C 
ENDBRANCH  17  20
ENDBRANCH   1  17
BRANCH   8  21
ATOM     21  N   LIG    1       -1.384  -1.138   0.501  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -0.409  -1.348   0.341  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.255  -2.296   0.278  0.00  0.00    +0.072 C 
ATOM     24  C   LIG    1       -2.548  -2.502  -1.208  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.550  -2.259   1.104  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.247  -3.628   1.348  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -3.518  -3.703   2.701  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -3.387  -2.171   2.648  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  29
ATOM     29  C   LIG    1        1.413   0.405   1.038  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.062  -0.393  -0.111  0.00  0.00    +0.009 C 
ATOM     31  C   LIG    1        2.731  -1.656   0.454  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1        3.425  -2.471  -0.635  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1        4.445  -1.628  -1.407  0.00  0.00    -0.014 C 
ATOM     34  C   LIG    1        5.094  -2.449  -2.519  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        3.784  -0.369  -1.979  0.00  0.00    +0.003 C 
ATOM     36  C   LIG    1        3.084   0.447  -0.894  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 8