REMARK  Name = BDB054875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.497  -0.650  -0.014  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.601  -0.331  -1.046  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.616  -1.019  -1.191  0.00  0.00    -0.029 A 
ATOM      4  C   LIG    1        0.936  -2.028  -0.276  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.055  -2.345   0.756  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.156  -1.660   0.886  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.754  -0.100   0.920  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -2.696   0.091   0.050  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -2.818   0.789  -0.673  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -3.871  -0.982   1.762  0.00  0.00    -0.270 OA
BRANCH   7  18
ATOM     11  C   LIG    1       -6.924  -0.773   0.935  0.00  0.00    +0.167 A 
ATOM     12  C   LIG    1       -6.200   0.442   0.799  0.00  0.00    +0.075 A 
ATOM     13  C   LIG    1       -7.195   1.395   0.656  0.00  0.00    +0.170 A 
ATOM     14  C   LIG    1       -6.970   2.760   0.486  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -5.635   3.175   0.469  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.593   2.253   0.607  0.00  0.00    +0.014 A 
ATOM     17  O   LIG    1       -8.411   0.792   0.709  0.00  0.00    -0.353 OA
ATOM     18  C   LIG    1       -4.860   0.876   0.762  0.00  0.00    +0.051 A 
ATOM     19  N   LIG    1       -8.243  -0.570   0.885  0.00  0.00    -0.062 NA
BRANCH  11  20
ATOM     20  N   LIG    1       -6.351  -1.981   1.099  0.00  0.00    -0.340 N 
ATOM     21  H   LIG    1       -6.939  -2.716   1.476  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -5.404  -2.007   1.492  0.00  0.00    +0.144 HD
ENDBRANCH  11  20
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        1.581  -0.660  -2.293  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.661   0.163  -1.792  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1        2.382   0.946  -1.222  0.00  0.00    +0.151 HD
ATOM     26  C   LIG    1        3.882  -0.399  -1.472  0.00  0.00    +0.304 C 
ATOM     27  N   LIG    1        4.729   0.553  -0.947  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        4.430   1.508  -1.063  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        4.136  -1.580  -1.666  0.00  0.00    -0.252 OA
BRANCH  27  30
ATOM     30  C   LIG    1        6.026   0.361  -0.431  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        6.752   1.506  -0.078  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        8.042   1.399   0.449  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        8.617   0.145   0.633  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.900  -1.000   0.291  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1        6.609  -0.892  -0.237  0.00  0.00    +0.023 A 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6