REMARK  Name = BDB028388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.200  -4.053   1.336  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.957  -3.315   1.312  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        0.790  -1.961   1.112  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.586  -1.764   1.116  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -1.133  -3.046   1.343  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.200  -3.988   1.471  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.266  -0.498   0.910  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.302  -0.412  -0.034  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.966   0.804  -0.248  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.608   1.921   0.504  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.334   3.187   0.307  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.349   3.162  -0.618  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.863   4.025  -0.767  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -4.712   2.098  -1.381  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.049   4.194   0.943  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -1.582   1.844   1.451  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.063   0.979  -1.236  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -0.914   0.636   1.652  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -4.492  -0.190  -2.121  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.590  -0.911  -1.475  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -5.333  -1.180  -0.527  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -6.375  -0.263  -1.373  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.896  -1.030   0.897  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.053  -0.398  -0.342  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1        3.103   0.509  -0.564  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        4.012   0.785   0.483  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        5.061   1.692   0.261  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        5.211   2.319  -0.977  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        4.316   2.047  -2.007  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        3.845   0.150   1.723  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        3.269   1.148  -1.803  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        2.796  -0.749   1.929  0.00  0.00    +0.010 A 
ENDBRANCH   3  23
TORSDOF 4