REMARK  Name = BDB022987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.517  -1.073  -1.436  0.00  0.00    +0.081 C 
ATOM      2  N   LIG    1       -0.418  -0.715  -0.006  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -1.295  -1.146   0.987  0.00  0.00    +0.220 C 
ATOM      4  O   LIG    1       -0.927  -1.198   2.165  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1        0.912  -0.302   0.468  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        1.754   0.449  -0.539  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        1.332   0.600  -1.845  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1        2.183   1.304  -2.663  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        3.367   1.800  -2.259  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        3.701   1.602  -0.979  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1        2.940   0.931  -0.106  0.00  0.00    -0.218 NA
ATOM     12  C   LIG    1        0.006   0.088  -2.308  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -2.748  -1.482   0.620  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1       -3.589  -0.178   0.600  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -5.007  -0.422   1.166  0.00  0.00    +0.093 C 
ATOM     16  N   LIG    1       -4.987  -0.875   2.561  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1       -6.300  -1.358   2.977  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1       -3.919  -1.834   2.866  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -3.320  -2.503   1.628  0.00  0.00    +0.029 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -3.683   0.460  -0.780  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -4.255  -0.214  -1.871  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -4.344   0.401  -3.121  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.872   1.700  -3.296  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.311   2.385  -2.221  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.216   1.770  -0.971  0.00  0.00    +0.004 A 
ENDBRANCH  14  20
ENDBRANCH   3  13
BRANCH   1  27
ATOM     26  C   LIG    1       -0.372  -3.621  -1.097  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        0.222  -2.392  -1.771  0.00  0.00    +0.019 C 
ENDBRANCH   1  27
BRANCH  10  28
ATOM     28  N   LIG    1        4.923   2.137  -0.599  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        5.410   2.299  -1.474  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.662   1.407   0.431  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        5.184   1.835   1.828  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        6.295   1.663   2.850  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        7.454   2.445   2.563  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.627   2.784   1.188  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        7.169   1.669   0.262  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  10  28
TORSDOF 5