REMARK  Name = BDB002091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.701  -0.236   2.884  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.120  -0.118   1.969  0.00  0.00    +0.227 C 
ATOM      3  N   LIG    1        0.036   0.784   0.925  0.00  0.00    -0.233 N 
ATOM      4  C   LIG    1       -0.906   1.044  -0.070  0.00  0.00    +0.253 C 
ATOM      5  O   LIG    1       -0.762   1.902  -0.939  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -2.155   0.250  -0.059  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -2.369  -0.719   0.918  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1       -3.563  -1.459   0.900  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -4.527  -1.228  -0.081  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.310  -0.257  -1.054  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.127   0.480  -1.045  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -1.350  -0.991   1.979  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.276   1.553   0.882  0.00  0.00    +0.151 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.354   0.838   0.093  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        2.455   1.013  -1.295  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        3.436   0.339  -2.024  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        4.322  -0.520  -1.376  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.227  -0.707   0.002  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.247  -0.034   0.733  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 2