REMARK  Name = BDB031626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.374  -0.592   1.680  0.00  0.00    +0.218 C 
ATOM      2  N   LIG    1       -2.054   0.055   0.672  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -1.629   0.897   0.290  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.560  -1.772   1.964  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.932  -0.678  -0.230  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -3.196   0.189  -1.465  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.493   1.153  -1.765  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.265  -0.180  -2.243  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.441   0.407  -3.048  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -5.331  -0.946  -1.842  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.368  -0.976  -2.497  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.141  -1.763  -0.586  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.264  -1.034   0.421  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  14
ATOM     14  C   LIG    1       -0.369   0.278   2.414  0.00  0.00    +0.130 C 
BRANCH  14  18
ATOM     15  C   LIG    1        3.388   0.595   0.282  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.557   1.706   0.420  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        1.343   1.607   1.111  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        0.941   0.392   1.676  0.00  0.00    -0.039 A 
ATOM     19  C   LIG    1        1.775  -0.723   1.539  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.987  -0.621   0.848  0.00  0.00    +0.023 A 
BRANCH  15  23
ATOM     21  C   LIG    1        6.546   1.314  -1.653  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1        5.222   1.685  -1.032  0.00  0.00    +0.214 C 
ATOM     23  N   LIG    1        4.625   0.612  -0.396  0.00  0.00    -0.286 N 
ATOM     24  H   LIG    1        5.125  -0.267  -0.421  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        4.777   2.822  -1.140  0.00  0.00    -0.276 OA
ENDBRANCH  15  23
ENDBRANCH  14  18
ENDBRANCH   1  14
TORSDOF 4