REMARK  Name = BDB041133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.396   2.990  -1.966  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.062   2.397  -0.746  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1       -1.312   1.099  -0.497  0.00  0.00    -0.209 NA
ATOM      4  C   LIG    1       -1.873   0.372  -1.478  0.00  0.00    +0.169 A 
ATOM      5  N   LIG    1       -2.267   0.855  -2.670  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1       -2.010   2.161  -2.883  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.099  -1.035  -1.212  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -3.372  -1.563  -1.008  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1       -3.559  -2.887  -0.760  0.00  0.00    -0.239 NA
ATOM     10  C   LIG    1       -2.471  -3.664  -0.708  0.00  0.00    +0.225 A 
ATOM     11  N   LIG    1       -1.211  -3.263  -0.880  0.00  0.00    -0.201 NA
ATOM     12  C   LIG    1       -1.055  -1.946  -1.131  0.00  0.00    +0.229 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -4.619  -0.695  -1.057  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1       -4.887   0.304   0.047  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -5.743  -0.920  -0.070  0.00  0.00    +0.010 C 
ENDBRANCH   8  13
BRANCH  12  16
ATOM     16  O   LIG    1        0.223  -1.472  -1.369  0.00  0.00    -0.479 OA
ATOM     17  C   LIG    1        1.250  -2.426  -1.133  0.00  0.00    +0.279 C 
ENDBRANCH  12  16
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  C   LIG    1       -1.239   4.837  -3.446  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.130   4.322  -2.124  0.00  0.00    -0.490 OA
ENDBRANCH   1  19
BRANCH   2  20
ATOM     20  N   LIG    1       -0.370   3.168   0.212  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -0.780   4.098   0.226  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -0.237   2.586   1.541  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1        0.893   1.585   1.630  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        2.181   1.905   1.188  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.224   0.978   1.300  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        3.023  -0.298   1.858  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        1.727  -0.599   2.311  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        0.679   0.324   2.198  0.00  0.00    +0.006 A 
BRANCH  26  29
ATOM     29  C   LIG    1        4.141  -1.264   1.957  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        5.385  -0.722   2.046  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        6.441  -1.560   2.140  0.00  0.00    +0.111 A 
ATOM     32  C   LIG    1        6.333  -2.938   2.144  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        5.064  -3.490   2.045  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        3.957  -2.648   1.949  0.00  0.00    +0.028 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 8