REMARK  Name = BDB031567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.678   1.178   0.801  0.00  0.00    +0.235 C 
ATOM      2  N   LIG    1        1.139  -0.064   0.405  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        0.458  -0.560  -0.172  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        1.411   2.037   1.290  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   6
ATOM      5  N   LIG    1       -1.379   0.350  -0.354  0.00  0.00    -0.284 NA
ATOM      6  C   LIG    1       -0.843   1.372   0.620  0.00  0.00    +0.174 C 
ATOM      7  C   LIG    1       -1.616   1.133   1.883  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -2.689   0.283   1.616  0.00  0.00    -0.028 A 
ATOM      9  C   LIG    1       -3.587  -0.075   2.609  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -3.391   0.444   3.893  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.314   1.304   4.160  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.419   1.659   3.150  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -2.700  -0.077   0.165  0.00  0.00    +0.121 C 
BRANCH   5  14
ATOM     14  C   LIG    1       -1.436   0.889  -1.717  0.00  0.00    +0.085 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -1.714   0.351  -4.161  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1       -1.732  -0.207  -2.746  0.00  0.00    +0.012 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   2  17
ATOM     17  C   LIG    1        2.550  -0.326   0.205  0.00  0.00    +0.160 C 
ATOM     18  C   LIG    1        2.888  -0.237  -1.293  0.00  0.00    +0.240 C 
ATOM     19  O   LIG    1        2.155   0.277  -2.136  0.00  0.00    -0.273 OA
ATOM     20  N   LIG    1        4.089  -0.792  -1.663  0.00  0.00    -0.255 N 
ATOM     21  H   LIG    1        4.268  -0.761  -2.659  0.00  0.00    +0.158 HD
ATOM     22  C   LIG    1        4.702  -1.835  -1.016  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1        5.466  -2.588  -1.611  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        4.392  -1.979   0.455  0.00  0.00    +0.098 C 
ATOM     25  C   LIG    1        2.919  -1.710   0.723  0.00  0.00    +0.041 C 
ENDBRANCH   2  17
TORSDOF 4