REMARK  Name = BDB000555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.740   0.667   1.182  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        3.404   0.279   0.611  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1        3.060  -1.046   0.288  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        1.808  -1.373  -0.252  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        0.861  -0.365  -0.463  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.179   0.957  -0.130  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        2.436   1.273   0.402  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        3.999  -2.139   0.508  0.00  0.00    +0.057 N 
ATOM      9  O   LIG    1        4.497  -2.244   1.636  0.00  0.00    -0.126 OA
ATOM     10  O   LIG    1        4.216  -2.895  -0.448  0.00  0.00    -0.126 OA
ENDBRANCH   3   8
BRANCH   5  11
ATOM     11  C   LIG    1       -0.465  -0.747  -1.018  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -0.746  -1.917  -1.246  0.00  0.00    -0.283 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -1.506   0.315  -1.286  0.00  0.00    +0.233 C 
ATOM     14  O   LIG    1       -1.244   1.186  -2.109  0.00  0.00    -0.283 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -2.784   0.311  -0.528  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.084  -0.664   0.430  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -4.294  -0.611   1.128  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.206   0.413   0.875  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.914   1.387  -0.078  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.707   1.337  -0.778  0.00  0.00    +0.012 A 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   5  11
TORSDOF 4