REMARK  Name = BDB018405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.064   4.655  -0.663  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.248   3.224  -0.473  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.519   2.681  -0.588  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.540   3.312  -0.843  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.610   1.216  -0.384  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.532   0.463  -0.086  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.215   1.122   0.057  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.146   2.453  -0.152  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.760  -0.985   0.046  0.00  0.00    -0.001 A 
ATOM     10  C   LIG    1       -2.266  -1.827  -0.884  0.00  0.00    +0.094 A 
ATOM     11  N   LIG    1       -2.458  -3.183  -0.795  0.00  0.00    -0.329 N 
ATOM     12  H   LIG    1       -2.073  -3.800  -1.501  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -3.152  -3.799   0.216  0.00  0.00    +0.249 A 
ATOM     14  O   LIG    1       -3.311  -5.012   0.276  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.712  -2.895   1.249  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -3.517  -1.572   1.150  0.00  0.00    +0.015 A 
ENDBRANCH   6   9
BRANCH   7  17
ATOM     17  C   LIG    1       -0.033   0.388   0.414  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.196   0.478  -0.203  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.061  -0.363   0.465  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.401  -1.046   1.441  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.158  -0.563   1.426  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.454  -0.609   0.249  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        4.302   0.229  -0.499  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1        5.654  -0.132  -0.674  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        6.169  -1.296  -0.104  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.344  -2.110   0.659  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.002  -1.769   0.839  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1        3.918   1.496  -1.050  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        3.621   2.524  -1.500  0.00  0.00    -0.191 NA
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   7  17
TORSDOF 4