REMARK  Name = BDB012228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.119   2.381  -0.970  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.466   1.224  -0.759  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.616   0.142  -0.855  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.937  -0.753  -0.507  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.800   0.305  -1.152  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.362  -0.981  -1.768  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        2.861  -0.871  -2.040  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1        3.638  -0.489  -0.773  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        3.079   0.800  -0.158  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        1.579   0.692   0.112  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1        5.090  -0.343  -1.064  0.00  0.00    +0.221 A 
ATOM     12  O   LIG    1        5.962  -1.030  -0.263  0.00  0.00    -0.420 OA
ATOM     13  C   LIG    1        7.175  -0.671  -0.797  0.00  0.00    +0.248 A 
ATOM     14  N   LIG    1        7.048   0.152  -1.820  0.00  0.00    -0.107 NA
ATOM     15  N   LIG    1        5.696   0.366  -1.992  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1        8.373  -1.227  -0.183  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        8.309  -2.098   0.915  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        9.476  -2.616   1.485  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       10.721  -2.271   0.962  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       10.802  -1.409  -0.128  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        9.636  -0.890  -0.697  0.00  0.00    +0.013 A 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -2.866   0.837  -0.337  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.837   2.006  -0.450  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.137   1.646   0.218  0.00  0.00    +0.112 A 
ATOM     25  N   LIG    1       -5.284   2.063   1.506  0.00  0.00    -0.311 N 
ATOM     26  H   LIG    1       -4.575   2.607   1.975  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -6.394   1.766   2.235  0.00  0.00    +0.256 A 
ATOM     28  O   LIG    1       -6.515   2.110   3.405  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.427   0.994   1.520  0.00  0.00    +0.057 A 
ATOM     30  C   LIG    1       -8.690   0.643   2.253  0.00  0.00    +0.045 C 
ATOM     31  C   LIG    1       -9.793   0.128   1.322  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -9.215  -0.793   0.253  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -8.145  -0.095  -0.432  0.00  0.00    -0.329 N 
ATOM     34  H   LIG    1       -7.747  -0.550  -1.248  0.00  0.00    +0.147 HD
ATOM     35  C   LIG    1       -7.184   0.633   0.244  0.00  0.00    +0.129 A 
ATOM     36  N   LIG    1       -6.021   0.943  -0.409  0.00  0.00    -0.219 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6