REMARK  Name = BDB028422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.724  -1.993  -0.512  0.00  0.00    +0.077 A 
ATOM      2  N   LIG    1        0.858  -3.366  -0.493  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        2.078  -4.130  -0.353  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.310  -4.027  -0.603  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -1.222  -3.057  -0.648  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.643  -1.772  -0.611  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.282  -0.472  -0.619  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.169  -0.131   0.412  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.768   1.134   0.436  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.502   2.037  -0.589  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.164   3.352  -0.577  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.023   3.587   0.469  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.489   4.489   0.495  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.281   2.739   1.501  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -2.957   4.179  -1.458  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.626   1.701  -1.628  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.687   1.580   1.513  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.013   0.448  -1.639  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.978   0.658   2.694  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.976  -0.335   2.288  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -5.232  -0.891   3.104  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -5.828   0.164   2.021  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  26
ATOM     23  C   LIG    1        4.023   0.734  -0.318  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        3.146   0.629   0.764  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1        2.058  -0.256   0.730  0.00  0.00    +0.064 A 
ATOM     26  C   LIG    1        1.846  -1.056  -0.406  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        2.730  -0.942  -1.490  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        3.811  -0.055  -1.446  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        5.936   1.816  -1.231  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        5.035   1.635  -0.144  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  C   LIG    1        1.192  -0.314   1.874  0.00  0.00    +0.100 C 
ATOM     32  N   LIG    1        0.498  -0.342   2.805  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH   1  26
TORSDOF 6