REMARK  Name = BDB062860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.068  -0.461   0.416  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -0.367  -1.103  -0.629  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1       -0.202  -2.310  -0.781  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.269  -0.272  -1.664  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.609   0.082  -1.598  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        2.665  -0.177  -0.633  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1        3.844   0.460  -1.062  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.551   1.141  -2.338  0.00  0.00    +0.194 C 
ATOM      9  O   LIG    1        4.320   1.794  -3.010  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        5.037   0.416  -0.365  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        5.049  -0.310   0.824  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.887  -0.964   1.274  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.689  -0.902   0.547  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.130   0.874  -2.637  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.392   1.305  -3.727  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        0.054   0.917  -3.789  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -0.506   0.129  -2.769  0.00  0.00    +0.014 A 
ENDBRANCH   2   4
BRANCH   1  18
ATOM     18  C   LIG    1       -1.834  -1.225   1.386  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -2.215  -0.674   2.624  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -2.970  -1.402   3.555  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.370  -2.700   3.269  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.016  -3.267   2.053  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -2.261  -2.537   1.125  0.00  0.00    +0.023 A 
ENDBRANCH   1  18
BRANCH   1  24
ATOM     24  C   LIG    1       -1.049   1.014   0.559  0.00  0.00    +0.125 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.378   1.647   0.145  0.00  0.00    +0.140 C 
BRANCH  25  27
ATOM     26  O   LIG    1       -1.345   3.771   0.670  0.00  0.00    -0.251 OA
ATOM     27  C   LIG    1       -2.320   3.142   0.292  0.00  0.00    +0.306 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -3.484   3.743  -0.045  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -4.190   3.128  -0.323  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 6