REMARK  Name = BDB027817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.689   0.805  -0.419  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.165   1.604  -1.231  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.550   1.529  -0.996  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.365   2.298  -1.814  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.953   3.124  -2.810  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.626   3.196  -2.999  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.097   0.770  -0.028  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1       -1.282   0.054   0.777  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        0.289   2.473  -2.253  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.101   0.072   0.618  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.961  -0.729   1.829  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.468  -1.961   2.283  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -2.155  -2.644   3.276  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -3.290  -2.197   3.849  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -3.765  -1.018   3.399  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -3.150  -0.266   2.411  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        2.082   0.865  -0.588  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        2.352   1.045  -1.550  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.012  -0.044   0.078  0.00  0.00    +0.101 C 
BRANCH  19  21
ATOM     20  C   LIG    1        3.457  -1.506  -1.959  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        2.983  -1.454  -0.513  0.00  0.00    +0.015 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4