REMARK  Name = BDB017380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.439  -1.773   0.120  0.00  0.00    +0.185 C 
ATOM      2  C   LIG    1        1.047  -1.394  -0.387  0.00  0.00    +0.241 C 
ATOM      3  O   LIG    1        0.839  -0.743  -1.407  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.054  -1.915   0.398  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1        0.305  -2.974   1.335  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1       -0.997  -3.096   2.110  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -2.045  -2.758   1.045  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1        1.426  -2.724   2.165  0.00  0.00    -0.356 OA
ATOM      9  C   LIG    1       -1.364  -1.659   0.218  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        2.343  -1.738   1.653  0.00  0.00    +0.194 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        3.871   0.269  -0.088  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1        3.472  -0.974  -0.536  0.00  0.00    -0.301 N 
ATOM     13  H   LIG    1        3.491  -1.086  -1.542  0.00  0.00    +0.150 HD
ATOM     14  O   LIG    1        3.536   0.728   1.001  0.00  0.00    -0.274 OA
BRANCH  11  15
ATOM     15  C   LIG    1        4.745   1.067  -1.097  0.00  0.00    +0.137 C 
ATOM     16  C   LIG    1        5.914   0.247  -1.645  0.00  0.00    +0.034 C 
BRANCH  15  18
ATOM     17  C   LIG    1        6.248   2.263   0.456  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1        5.164   2.366  -0.516  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1        4.347   2.740  -0.022  0.00  0.00    +0.122 HD
ENDBRANCH  15  18
ENDBRANCH  11  15
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1       -1.755  -0.271   0.761  0.00  0.00    +0.234 C 
ATOM     21  N   LIG    1       -2.929   0.224   0.229  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.245  -0.143  -0.660  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1       -1.129   0.312   1.643  0.00  0.00    -0.274 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.371   1.554   0.578  0.00  0.00    +0.139 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.724   1.832  -0.018  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.886   1.375   0.620  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -7.141   1.606   0.055  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.246   2.290  -1.155  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.097   2.740  -1.803  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.841   2.510  -1.239  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   9  20
TORSDOF 6