REMARK  Name = BDB063199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.118   0.871  -1.663  0.00  0.00    -0.308 N 
ATOM      2  H   LIG    1       -0.612   0.112  -1.221  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.474   1.652  -2.593  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -1.015   2.623  -3.121  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.474   1.141  -1.204  0.00  0.00    +0.114 C 
BRANCH   5  10
ATOM      6  C   LIG    1       -2.766  -0.231   4.472  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -2.721   0.110   3.012  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -2.625  -0.898   2.048  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -2.553  -0.577   0.690  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -2.572   0.761   0.267  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1       -2.642   1.768   1.241  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.714   1.446   2.599  0.00  0.00    +0.004 A 
ENDBRANCH   5  10
BRANCH   5  13
ATOM     13  C   LIG    1       -3.521   0.406  -2.046  0.00  0.00    +0.147 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.651   1.012  -3.409  0.00  0.00    +0.307 C 
ATOM     15  O   LIG    1       -3.298   0.497  -4.458  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.244   2.221  -3.393  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       -4.157   2.537  -4.318  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   5
BRANCH   3  18
ATOM     18  C   LIG    1        0.934   1.229  -2.991  0.00  0.00    +0.130 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.655   0.330  -2.012  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1        2.134   0.848  -0.799  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.760   0.010   0.128  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        3.234   0.519   1.463  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1        4.596  -0.070   1.835  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.774  -1.559   1.500  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        3.540  -2.233   0.897  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1        2.906  -1.358  -0.151  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        2.423  -1.878  -1.353  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        1.805  -1.038  -2.281  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 7