REMARK  Name = BDB051635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.183  -1.347  -0.460  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -2.172  -0.430  -0.103  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -3.513  -0.618  -0.693  0.00  0.00    +0.125 C 
ATOM      4  C   LIG    1       -3.519  -0.389  -2.220  0.00  0.00    +0.131 C 
ATOM      5  N   LIG    1       -4.847  -0.533  -2.785  0.00  0.00    -0.309 N 
ATOM      6  H   LIG    1       -4.958  -0.762  -3.765  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -5.962  -0.011  -2.179  0.00  0.00    +0.244 C 
ATOM      8  C   LIG    1       -5.797   0.482  -0.784  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -6.844   1.194  -0.188  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -6.705   1.683   1.110  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.518   1.476   1.812  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.461   0.775   1.220  0.00  0.00    -0.040 A 
ATOM     13  C   LIG    1       -3.164   0.561   1.948  0.00  0.00    +0.054 C 
ATOM     14  O   LIG    1       -7.034   0.052  -2.767  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -4.602   0.251  -0.077  0.00  0.00    -0.010 A 
ATOM     16  C   LIG    1       -2.010   0.585   0.946  0.00  0.00    +0.113 C 
ATOM     17  O   LIG    1       -1.415  -2.354  -1.126  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1        2.898  -0.727   0.688  0.00  0.00    -0.033 A 
ATOM     19  C   LIG    1        2.239  -1.930   0.990  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        0.909  -2.127   0.613  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        0.217  -1.108  -0.046  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        0.860   0.092  -0.363  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        2.189   0.285   0.018  0.00  0.00    +0.005 A 
BRANCH  18  24
ATOM     24  C   LIG    1        4.333  -0.515   1.134  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.166   0.194   0.139  0.00  0.00    -0.299 NA
BRANCH  25  27
ATOM     26  C   LIG    1        4.912  -1.545  -1.683  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        5.844  -0.739  -0.785  0.00  0.00    +0.081 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1        6.173   1.043   0.800  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        5.564   2.324   1.366  0.00  0.00    +0.020 C 
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 5