REMARK  Name = BDB061998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.112  -0.830   0.014  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        2.180  -2.227  -0.065  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.017  -2.999  -0.140  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.241  -2.396  -0.128  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.321  -1.007  -0.047  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.845  -0.231   0.025  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        6.833   0.570   0.472  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        5.441   0.507   0.281  0.00  0.00    +0.102 A 
ATOM      9  C   LIG    1        4.754   1.689   0.017  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1        3.445   1.301  -0.121  0.00  0.00    -0.338 N 
ATOM     11  H   LIG    1        2.676   1.910  -0.351  0.00  0.00    +0.167 HD
ATOM     12  C   LIG    1        3.356  -0.057   0.084  0.00  0.00    +0.139 A 
ATOM     13  C   LIG    1        5.370   2.941  -0.072  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        6.755   2.981   0.124  0.00  0.00    +0.003 A 
ATOM     15  N   LIG    1        4.557  -0.546   0.333  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        7.480   1.818   0.392  0.00  0.00    +0.015 A 
BRANCH   7  20
ATOM     17  N   LIG    1        8.538  -0.570   1.740  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        8.959  -1.450   2.012  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        8.478   0.155   2.440  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1        7.611  -0.656   0.733  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        7.468  -1.688   0.096  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  O   LIG    1       -1.290  -3.267  -0.214  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.615  -2.765  -0.039  0.00  0.00    +0.229 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.200  -2.317  -1.378  0.00  0.00    +0.041 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.655  -1.855  -1.290  0.00  0.00    +0.003 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.842  -0.606  -0.425  0.00  0.00    +0.001 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.275  -0.072  -0.522  0.00  0.00    +0.009 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.516   1.132   0.388  0.00  0.00    +0.098 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.844   2.402  -0.095  0.00  0.00    +0.235 C 
ATOM     30  N   LIG    1       -5.965   3.451   0.792  0.00  0.00    -0.197 N 
ATOM     31  H   LIG    1       -6.742   3.506   1.443  0.00  0.00    +0.182 HD
ATOM     32  O   LIG    1       -5.247   2.521  -1.161  0.00  0.00    -0.274 OA
BRANCH  30  33
ATOM     33  O   LIG    1       -5.476   4.691   0.311  0.00  0.00    -0.295 OA
ATOM     34  H   LIG    1       -5.126   4.451  -0.576  0.00  0.00    +0.241 HD
ENDBRANCH  30  33
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 11