REMARK  Name = BDB027850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.316   0.776   0.478  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.781   1.876   1.250  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        2.170   2.015   1.421  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        2.598   3.107   2.162  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.805   4.042   2.746  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.483   3.872   2.588  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.067   1.148   0.916  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        2.621   0.079   0.220  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.067   2.827   1.865  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        1.263  -0.139   0.005  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.670  -0.834  -0.277  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        4.851  -1.032   0.453  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.818  -1.897  -0.033  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.701  -2.577  -1.191  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.571  -2.372  -1.896  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.548  -1.528  -1.490  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.069   0.583   0.302  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -1.531   1.473   0.134  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.582  -0.487  -0.555  0.00  0.00    +0.109 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.702   0.746  -1.243  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1       -3.138  -0.531  -0.588  0.00  0.00    -0.007 C 
ATOM     22  C   LIG    1       -3.699  -0.659   0.843  0.00  0.00    +0.014 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.530  -1.777  -1.436  0.00  0.00    +0.085 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.967  -1.962  -1.617  0.00  0.00    -0.329 NA
ATOM     25  H   LIG    1       -5.135  -2.789  -2.190  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1       -5.412  -2.151  -0.720  0.00  0.00    +0.118 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6