REMARK  Name = BDB002842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.964  -0.658   1.415  0.00  0.00    +0.153 C 
ATOM      2  C   LIG    1        1.067  -0.845   0.430  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   2   3
ATOM      3  N   LIG    1       -0.184  -1.367   0.626  0.00  0.00    -0.236 NA
ATOM      4  C   LIG    1       -1.244  -0.785   0.119  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1       -2.507  -1.373   0.319  0.00  0.00    -0.335 N 
ATOM      6  C   LIG    1       -2.597  -2.595   1.116  0.00  0.00    +0.150 C 
ATOM      7  C   LIG    1       -3.644  -0.783  -0.221  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1       -3.620   0.354  -0.937  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -4.842   0.991  -1.520  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1       -2.341   1.009  -1.152  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.193   0.508  -0.670  0.00  0.00    +0.047 A 
ENDBRANCH   2   3
BRANCH   1  12
ATOM     12  C   LIG    1        3.319  -0.126   1.137  0.00  0.00    +0.351 C 
ATOM     13  O   LIG    1        4.195  -0.029   1.984  0.00  0.00    -0.244 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.455   0.256  -0.162  0.00  0.00    -0.461 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.781   2.280  -0.256  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1        4.737   0.789  -0.531  0.00  0.00    +0.229 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  C   LIG    1        1.655  -0.969   2.768  0.00  0.00    +0.108 C 
ATOM     18  N   LIG    1        1.400  -1.215   3.875  0.00  0.00    -0.191 NA
ENDBRANCH   1  17
TORSDOF 5