REMARK  Name = BDB020925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.546   0.256  -0.424  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.724  -0.468   0.558  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.241  -0.083   0.404  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.006   1.367   0.432  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.247   1.956   0.479  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -0.396   3.177   0.511  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        2.202   2.211   0.406  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        3.271   1.699  -0.579  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        7.484  -1.078  -0.784  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.601  -1.560   0.164  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        5.320  -1.132   0.292  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.865  -0.170  -0.543  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.702   0.349  -1.534  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        7.019  -0.102  -1.655  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.904  -1.983  -0.923  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.818  -1.578  -0.861  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.439   1.016   0.467  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.761   1.775   0.514  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.901   0.815   0.293  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -4.336   0.689  -0.998  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.939   1.246  -1.742  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -5.351  -0.157  -1.369  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -5.731  -0.246  -2.530  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.949  -0.947  -0.281  0.00  0.00    +0.065 A 
ATOM     25  C   LIG    1       -5.434  -0.762   1.006  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1       -5.984  -1.499   2.056  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -7.027  -2.402   1.823  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -7.529  -2.575   0.532  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.991  -1.847  -0.527  0.00  0.00    +0.015 A 
ATOM     30  N   LIG    1       -4.386   0.135   1.279  0.00  0.00    -0.234 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5