REMARK  Name = BDB028333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.986   1.082   1.218  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.718   1.040   0.446  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.335   2.207  -0.210  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.151   2.250  -0.954  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.346   1.113  -1.043  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.721  -0.069  -0.392  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -4.200   3.396  -0.126  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.898   4.445  -0.683  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.354   3.253   0.604  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.965   4.062   0.670  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.914  -0.103   0.347  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.750   2.135   1.270  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.907  -1.262  -0.497  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        0.440  -1.355  -0.209  0.00  0.00    +0.078 A 
ATOM     15  N   LIG    1        0.811  -2.687  -0.438  0.00  0.00    -0.239 N 
ATOM     16  C   LIG    1        2.120  -3.135  -0.251  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        3.075  -2.285   0.159  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1        2.720  -0.890   0.398  0.00  0.00    +0.132 A 
ATOM     19  N   LIG    1       -0.252  -3.429  -0.838  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        1.452  -0.457   0.251  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1       -1.273  -2.573  -0.864  0.00  0.00    +0.143 A 
BRANCH  18  22
ATOM     22  O   LIG    1        3.707  -0.043   0.879  0.00  0.00    -0.456 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.871   0.096   0.157  0.00  0.00    +0.128 A 
ATOM     24  C   LIG    1        4.908   0.142  -1.239  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        6.128   0.315  -1.895  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.305   0.454  -1.159  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.264   0.428   0.235  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.046   0.256   0.893  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   6  13
BRANCH   1  29
ATOM     29  C   LIG    1       -5.448  -0.152   1.988  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -6.018  -1.120   1.049  0.00  0.00    -0.325 NA
ATOM     31  H   LIG    1       -6.809  -0.677   0.576  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1       -6.421  -1.893   1.579  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 5