REMARK  Name = BDB027991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.471   1.156   0.005  0.00  0.00    -0.302 N 
ATOM      2  H   LIG    1       -0.491   1.924  -0.668  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.535   0.175  -0.207  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -2.673   0.838  -1.002  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -2.482   1.766  -1.788  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.932   0.318  -0.824  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.673   0.757  -1.354  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.327  -0.618   0.097  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.506  -0.944   0.203  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.235  -1.259   0.918  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.078  -0.298   1.140  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     12  C   LIG    1        2.988   0.967  -0.669  0.00  0.00    +0.223 A 
ATOM     13  N   LIG    1        1.731   1.440  -0.609  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        0.816   0.642  -0.056  0.00  0.00    +0.222 A 
ATOM     15  N   LIG    1        1.074  -0.581   0.420  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        2.348  -1.002   0.339  0.00  0.00    +0.223 A 
ATOM     17  C   LIG    1        3.362  -0.264  -0.206  0.00  0.00    +0.134 A 
BRANCH  12  19
ATOM     18  C   LIG    1        3.537   3.016  -1.667  0.00  0.00    +0.279 C 
ATOM     19  O   LIG    1        3.989   1.738  -1.229  0.00  0.00    -0.479 OA
ENDBRANCH  12  19
BRANCH  16  20
ATOM     20  O   LIG    1        2.691  -2.254   0.814  0.00  0.00    -0.479 OA
ATOM     21  C   LIG    1        1.608  -2.935   1.439  0.00  0.00    +0.279 C 
ENDBRANCH  16  20
ENDBRANCH   1  14
TORSDOF 4