REMARK  Name = BDB060430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.594   0.353  -0.358  0.00  0.00    -0.281 N 
ATOM      2  H   LIG    1        0.552  -0.652  -0.472  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.845   0.940  -0.395  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        2.121   2.106  -0.137  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM      5  C   LIG    1       -5.428  -3.595  -0.499  0.00  0.00    +0.129 C 
ATOM      6  N   LIG    1       -5.365  -2.167  -0.301  0.00  0.00    -0.302 N 
ATOM      7  H   LIG    1       -5.882  -1.612  -0.965  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1       -4.176  -1.587   0.109  0.00  0.00    +0.306 C 
ATOM      9  N   LIG    1       -4.240  -0.188   0.233  0.00  0.00    -0.255 N 
ATOM     10  C   LIG    1       -3.064   0.654   0.235  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.182   2.038   0.483  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.047   2.865   0.434  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -0.786   2.337   0.163  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -0.640   0.977  -0.073  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -4.508   2.689   0.768  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -5.494   1.677   1.312  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -1.780   0.155  -0.047  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -5.540   0.480   0.381  0.00  0.00    +0.115 C 
ATOM     19  O   LIG    1       -3.191  -2.287   0.334  0.00  0.00    -0.252 OA
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  C   LIG    1        2.961   0.018  -0.755  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.213   0.225  -0.155  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        5.298  -0.609  -0.456  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        5.104  -1.651  -1.378  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        3.865  -1.849  -1.993  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        2.793  -1.012  -1.688  0.00  0.00    +0.013 A 
BRANCH  22  26
ATOM     26  C   LIG    1        6.611  -0.406   0.171  0.00  0.00    +0.092 A 
ATOM     27  N   LIG    1        7.610  -1.294   0.015  0.00  0.00    -0.174 NA
ATOM     28  N   LIG    1        8.633  -0.787   0.718  0.00  0.00    -0.284 N 
ATOM     29  H   LIG    1        9.504  -1.307   0.739  0.00  0.00    +0.188 HD
ATOM     30  C   LIG    1        8.346   0.396   1.323  0.00  0.00    +0.105 A 
ATOM     31  C   LIG    1        7.043   0.675   0.990  0.00  0.00    +0.049 A 
ENDBRANCH  22  26
ENDBRANCH   3  20
TORSDOF 3