REMARK  Name = BDB008895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.888  -1.039  -1.543  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -2.079  -0.508  -0.805  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -2.360  -0.923   0.612  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -3.777  -0.569   1.076  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -4.155   0.844   0.650  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -4.089   0.994  -0.871  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.874   0.344  -1.475  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.571   0.694  -2.885  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -3.283   1.457  -3.530  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -1.456   0.110  -3.420  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -1.232   0.335  -4.384  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -0.610  -0.738  -2.778  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.085  -1.978  -0.836  0.00  0.00    +0.092 C 
BRANCH  13  16
ATOM     14  C   LIG    1        2.501   0.503   0.799  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        1.681  -0.134  -0.144  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        0.955  -1.289   0.189  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        1.082  -1.821   1.480  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.892  -1.194   2.426  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.593  -0.037   2.090  0.00  0.00    +0.005 A 
BRANCH  14  20
ATOM     20  C   LIG    1        3.258   1.759   0.435  0.00  0.00    +0.116 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.336   0.754  -0.303  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1        4.706   1.662   0.649  0.00  0.00    -0.315 NA
ATOM     23  H   LIG    1        5.108   2.590   0.527  0.00  0.00    +0.122 HD
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4