REMARK  Name = BDB046897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.436   0.712   0.367  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1        4.245   1.338   1.557  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1        2.970   1.721   1.549  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        2.293   1.354   0.372  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        3.259   0.710  -0.369  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1       10.252  -0.950   0.507  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        9.223  -0.437   0.931  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        7.969  -0.441   0.153  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        6.837   0.168   0.716  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        5.676   0.131  -0.072  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1        5.640  -0.461  -1.315  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        6.763  -1.027  -1.795  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        6.913   0.764   1.992  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1        8.027   0.744   2.631  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1        7.950  -1.045  -1.103  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1        9.166   0.173   2.153  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       10.018   0.183   2.695  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        0.867   1.606   0.015  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.058   0.472   0.492  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.478   0.734   0.200  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -1.813   0.596  -1.226  0.00  0.00    +0.084 C 
ATOM     22  C   LIG    1       -2.629  -0.655  -1.556  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -3.947  -0.718  -0.762  0.00  0.00    -0.004 C 
ATOM     24  C   LIG    1       -3.794  -0.038   0.612  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -2.343  -0.062   1.085  0.00  0.00    +0.084 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.112  -0.111  -1.570  0.00  0.00    +0.038 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.465  -0.331  -0.934  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -7.133   0.723  -0.296  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -8.379   0.515   0.297  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.970  -0.747   0.259  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.315  -1.802  -0.373  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.068  -1.596  -0.967  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6