REMARK  Name = BDB017383
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.955   1.178  -0.116  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1        2.828   2.069  -1.047  0.00  0.00    +0.147 C 
ATOM      3  C   LIG    1        3.915   1.287  -1.784  0.00  0.00    +0.040 C 
ATOM      4  O   LIG    1        2.087   2.765  -2.078  0.00  0.00    -0.353 OA
ATOM      5  C   LIG    1        0.702   2.860  -1.808  0.00  0.00    +0.209 C 
ATOM      6  N   LIG    1        0.210   1.513  -1.752  0.00  0.00    -0.262 N 
ATOM      7  C   LIG    1       -0.680   1.190  -2.859  0.00  0.00    +0.164 C 
ATOM      8  C   LIG    1       -0.443   2.329  -3.850  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -0.056   3.511  -2.958  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        0.816   0.589  -0.947  0.00  0.00    +0.241 C 
ATOM     11  O   LIG    1        0.456  -0.585  -0.877  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1        3.517   0.383   1.618  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1        2.655   0.110   0.583  0.00  0.00    -0.301 N 
ATOM     14  H   LIG    1        2.289  -0.828   0.452  0.00  0.00    +0.150 HD
ATOM     15  O   LIG    1        3.850   1.538   1.887  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1        4.116  -0.852   2.343  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1        3.034  -1.818   2.817  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1        6.074  -1.177   3.751  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        4.878  -0.380   3.521  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        5.150   0.594   3.347  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1       -2.126   1.101  -2.339  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1       -2.337   0.035  -1.491  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1       -1.520  -0.476  -1.156  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1       -3.008   1.895  -2.656  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.589  -0.157  -0.778  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -3.768  -1.614  -0.377  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -4.258  -1.973   0.895  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -4.419  -3.330   1.220  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.133  -4.325   0.286  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.684  -3.976  -0.982  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.577  -0.936   1.943  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1       -4.792   0.454   1.353  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -3.508  -2.632  -1.313  0.00  0.00    +0.006 A 
ATOM     34  C   LIG    1       -3.643   0.806   0.420  0.00  0.00    +0.027 C 
ENDBRANCH  22  25
ENDBRANCH   7  21
TORSDOF 5