REMARK  Name = BDB027987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.072  -0.086   0.470  0.00  0.00    +0.144 C 
ATOM      2  C   LIG    1       -2.342  -0.928   0.740  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -2.346  -2.046   1.250  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -3.544  -0.323   0.443  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -4.366  -0.871   0.657  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -3.767   0.976   0.069  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -4.905   1.433  -0.001  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.545   1.826  -0.170  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1       -1.361   0.974  -0.602  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        0.093  -0.956   0.178  0.00  0.00    -0.286 NA
ATOM     11  C   LIG    1       -0.018  -1.694  -1.081  0.00  0.00    +0.106 C 
BRANCH  10  12
ATOM     12  C   LIG    1        1.373  -0.221   0.271  0.00  0.00    +0.180 C 
BRANCH  12  16
ATOM     13  C   LIG    1        4.091   0.879   0.622  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        3.829  -0.533   0.500  0.00  0.00    -0.317 N 
ATOM     15  H   LIG    1        4.580  -1.188   0.687  0.00  0.00    +0.148 HD
ATOM     16  C   LIG    1        2.598  -1.141   0.446  0.00  0.00    +0.227 C 
ATOM     17  O   LIG    1        2.559  -2.366   0.533  0.00  0.00    -0.274 OA
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
TORSDOF 3