REMARK  Name = BDB016341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.103   1.490  -1.785  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.629   0.057  -1.733  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.913  -0.759  -0.770  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.992  -1.030  -1.105  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.947  -0.561   0.616  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.968   0.123   1.318  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.877   0.267   2.720  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.832  -0.286   3.449  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.854  -1.007   2.786  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.120   0.730   0.778  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.689   1.271   1.419  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.675   0.733  -0.455  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.702   1.398  -0.630  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.895  -1.165   1.387  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.119  -0.097  -1.563  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.194  -1.953   0.766  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        1.516  -1.477   0.687  0.00  0.00    +0.129 A 
ATOM     18  C   LIG    1        2.537  -2.257   0.139  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.246  -3.519  -0.376  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        0.941  -4.004  -0.327  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.074  -3.230   0.244  0.00  0.00    +0.012 A 
BRANCH  17  22
ATOM     22  O   LIG    1        1.875  -0.255   1.199  0.00  0.00    -0.487 OA
BRANCH  22  23
ATOM     23  C   LIG    1        1.542   0.807   0.297  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.813   1.468  -0.181  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1        3.261   1.286  -1.497  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        4.442   1.892  -1.931  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.187   2.679  -1.054  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.756   2.858   0.259  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.576   2.254   0.695  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH  14  16
TORSDOF 4