REMARK  Name = BDB047089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.608  -0.501  -1.402  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -4.361  -1.637  -0.441  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1       -5.196  -2.487  -0.156  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -3.073  -1.658   0.118  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.086  -0.728  -0.149  0.00  0.00    +0.146 A 
ATOM      6  C   LIG    1       -0.988  -1.098   0.589  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -1.391  -2.275   1.254  0.00  0.00    +0.145 A 
ATOM      8  N   LIG    1       -2.367   0.268  -1.021  0.00  0.00    -0.343 N 
ATOM      9  H   LIG    1       -1.653   0.928  -1.324  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -2.653  -2.622   0.984  0.00  0.00    -0.170 NA
ATOM     11  C   LIG    1       -3.605   0.380  -1.643  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.743   1.557  -2.578  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.317  -0.474   0.707  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        1.510  -1.048   1.071  0.00  0.00    +0.125 A 
ATOM     15  N   LIG    1        2.463  -0.049   1.043  0.00  0.00    -0.221 N 
ATOM     16  N   LIG    1        1.920   1.150   0.679  0.00  0.00    -0.173 NA
ATOM     17  C   LIG    1        0.625   0.879   0.495  0.00  0.00    +0.143 A 
BRANCH  15  18
ATOM     18  C   LIG    1        3.850  -0.204   1.346  0.00  0.00    +0.154 A 
ATOM     19  N   LIG    1        4.294  -1.444   1.690  0.00  0.00    -0.236 NA
ATOM     20  C   LIG    1        5.609  -1.566   1.967  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        6.510  -0.516   1.919  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        6.048   0.758   1.577  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        4.689   0.908   1.275  0.00  0.00    +0.054 A 
BRANCH  22  24
ATOM     24  C   LIG    1        6.973   1.940   1.472  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  O   LIG    1        8.137   1.751   2.264  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        8.662   2.565   2.186  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  15  18
ENDBRANCH   6  13
BRANCH   1  28
ATOM     27  C   LIG    1       -7.006   0.208  -1.179  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -5.973  -0.500  -2.042  0.00  0.00    +0.039 C 
ENDBRANCH   1  28
TORSDOF 5