REMARK  Name = BDB041285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.134  -0.045  -0.130  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1        1.542  -0.381  -0.384  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        2.262   0.962  -0.610  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1        1.147   1.999  -0.484  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1       -0.111   1.219  -0.816  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.777  -1.136  -0.495  0.00  0.00    +0.140 C 
BRANCH   6  16
ATOM      7  C   LIG    1       -7.050   0.218   0.717  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -6.700   0.694  -0.660  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -7.524   1.240  -1.388  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1       -5.412   0.493  -1.082  0.00  0.00    -0.322 N 
ATOM     11  H   LIG    1       -5.200   0.828  -2.012  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.432  -0.141  -0.308  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -4.766  -0.601   0.963  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -3.769  -1.230   1.689  0.00  0.00    +0.121 A 
ATOM     15  N   LIG    1       -2.508  -1.418   1.234  0.00  0.00    -0.258 NA
ATOM     16  C   LIG    1       -2.204  -0.947  -0.004  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1       -3.145  -0.307  -0.807  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -6.123  -0.406   1.467  0.00  0.00    +0.020 A 
BRANCH   7  20
ATOM     19  C   LIG    1       -8.710   1.870   1.628  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -8.464   0.436   1.180  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1        3.256   1.244   0.372  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.464   0.621   0.269  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.912  -0.188  -0.767  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        6.134  -0.778  -0.805  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        6.962  -0.554   0.246  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        6.598   0.241   1.329  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        5.337   0.835   1.331  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        8.318  -1.204   0.259  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        8.836  -1.839  -0.848  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        9.752  -2.239  -0.683  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        8.277  -1.942  -2.174  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        9.003  -1.172   1.283  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6