REMARK  Name = BDB027902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.424   0.015  -0.998  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1        0.192  -1.021  -0.275  0.00  0.00    +0.149 A 
ATOM      3  C   LIG    1        0.076  -2.355  -0.676  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.617  -2.669  -1.842  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.202  -1.652  -2.595  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.111  -0.323  -2.172  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.423   1.355  -0.572  0.00  0.00    -0.330 N 
ATOM      8  H   LIG    1        0.484   1.525  -0.119  0.00  0.00    +0.147 HD
BRANCH   7  15
ATOM      9  O   LIG    1       -3.854  -0.921   2.463  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.145  -0.159   1.811  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -2.022   0.395   2.364  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -1.821   0.123   3.316  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -1.184   1.335   1.823  0.00  0.00    +0.239 C 
ATOM     14  O   LIG    1       -0.236   1.772   2.477  0.00  0.00    -0.273 OA
ATOM     15  C   LIG    1       -1.467   1.794   0.390  0.00  0.00    +0.158 C 
ATOM     16  C   LIG    1       -2.912   1.543  -0.031  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -3.437   0.174   0.372  0.00  0.00    +0.098 C 
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  O   LIG    1        0.881  -0.758   0.885  0.00  0.00    -0.454 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.197  -0.356   0.774  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        2.751   0.186   1.937  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.075   0.626   1.950  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.854   0.521   0.800  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.309  -0.024  -0.362  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        2.983  -0.464  -0.377  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 4