REMARK  Name = BDB027811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.053   0.672  -0.369  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.416   1.876  -0.946  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.803   2.096  -0.960  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.227   3.288  -1.531  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.430   4.251  -2.066  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.108   4.011  -2.027  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.693   1.218  -0.455  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1       -2.242   0.063   0.087  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        0.437   2.860  -1.487  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -0.883  -0.231   0.145  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        1.500   0.926   2.111  0.00  0.00    +0.031 C 
ATOM     12  C   LIG    1        2.164   0.196   0.920  0.00  0.00    +0.032 C 
ATOM     13  N   LIG    1        1.427   0.378  -0.354  0.00  0.00    -0.324 N 
ATOM     14  C   LIG    1        1.867  -0.358  -1.556  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1        2.701  -1.592  -1.234  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1        2.240  -2.242   0.055  0.00  0.00    +0.118 C 
ATOM     17  C   LIG    1        2.326  -1.303   1.261  0.00  0.00    +0.056 C 
ATOM     18  C   LIG    1        3.550   0.870   0.756  0.00  0.00    +0.031 C 
BRANCH  16  19
ATOM     19  O   LIG    1        3.000  -3.422   0.309  0.00  0.00    -0.392 OA
ATOM     20  H   LIG    1        3.938  -3.173   0.377  0.00  0.00    +0.210 HD
ENDBRANCH  16  19
ENDBRANCH   1  13
BRANCH   8  21
ATOM     21  C   LIG    1       -3.285  -0.843   0.611  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -3.131  -2.237   0.630  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -4.151  -3.028   1.140  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -5.307  -2.540   1.630  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1       -5.455  -1.201   1.598  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -4.493  -0.331   1.108  0.00  0.00    +0.030 A 
ENDBRANCH   8  21
TORSDOF 3