REMARK  Name = BDB002027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.768   1.102   1.513  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.518   0.584   1.126  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.446  -0.627   0.407  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.646  -1.279   0.145  0.00  0.00    +0.136 A 
ATOM      5  O   LIG    1       -1.423  -2.446  -0.508  0.00  0.00    -0.459 OA
ATOM      6  C   LIG    1       -0.080  -2.560  -0.681  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1        0.376  -3.782  -1.382  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -2.901  -0.803   0.514  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.581  -1.456  -0.158  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -2.942   0.414   1.204  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.919   2.902   2.563  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.690   2.288   2.194  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   9  13
ATOM     13  C   LIG    1        2.031  -1.288  -0.226  0.00  0.00    +0.187 C 
ATOM     14  O   LIG    1        2.772  -2.270  -0.312  0.00  0.00    -0.290 OA
BRANCH  13  15
ATOM     15  C   LIG    1        2.641   0.094  -0.224  0.00  0.00    +0.202 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.338   0.826  -1.436  0.00  0.00    -0.329 N 
ATOM     17  C   LIG    1        1.635   1.992  -1.521  0.00  0.00    +0.199 A 
ATOM     18  N   LIG    1        1.555   2.413  -2.763  0.00  0.00    -0.244 NA
ATOM     19  C   LIG    1        2.244   1.490  -3.506  0.00  0.00    +0.130 A 
ATOM     20  C   LIG    1        2.750   0.498  -2.699  0.00  0.00    +0.107 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   9  13
TORSDOF 4