REMARK  Name = BDB029579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.795  -0.345  -0.330  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        3.580  -0.724   0.260  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        2.435   0.114   0.292  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        1.252  -0.510   0.970  0.00  0.00    +0.250 C 
ATOM      5  N   LIG    1        0.261   0.268   1.569  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1        0.249   1.714   1.479  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1        0.279   2.142   0.024  0.00  0.00    +0.248 C 
ATOM      8  O   LIG    1        1.608   2.374  -0.415  0.00  0.00    -0.490 OA
ATOM      9  O   LIG    1        1.215  -1.742   1.027  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.533   1.378  -0.297  0.00  0.00    +0.133 A 
ATOM     11  C   LIG    1        3.754   1.766  -0.877  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.868   0.924  -0.889  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        5.887  -1.236  -0.265  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        5.568  -2.202  -0.228  0.00  0.00    +0.152 HD
BRANCH  13  19
ATOM     15  C   LIG    1       10.646  -2.007  -0.827  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1        9.360  -1.392  -0.606  0.00  0.00    -0.273 N 
ATOM     17  N   LIG    1        9.293  -0.068  -0.368  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        7.983   0.150  -0.206  0.00  0.00    +0.157 A 
ATOM     19  C   LIG    1        7.218  -1.023  -0.365  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        8.143  -2.011  -0.598  0.00  0.00    +0.131 A 
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1       -0.915  -0.412   2.128  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.127  -0.567   1.178  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.726  -0.775  -0.180  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.528  -0.608  -0.715  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.096   0.637   1.230  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.207   0.511   0.257  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.153  -0.559   0.645  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.416  -0.600  -0.190  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.827   0.516  -0.939  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.013   0.460  -1.682  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.804  -0.689  -1.661  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.411  -1.790  -0.903  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.957   1.744  -0.993  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.226  -1.746  -0.170  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -4.938   1.788   0.153  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 7