REMARK  Name = BDB026871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.540  -1.381   1.019  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.556  -2.415   1.492  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -3.492  -2.125   2.498  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -4.410  -3.091   2.915  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -4.396  -4.362   2.344  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.458  -4.672   1.362  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.540  -3.708   0.942  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.428  -1.316   2.001  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -0.667  -0.593   2.686  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.880  -1.026   1.406  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.063   0.405   0.877  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.153   1.021  -0.550  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        4.125   0.565  -1.395  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        2.812   0.368  -0.945  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.468   0.635   0.379  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.462   1.100   1.239  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        4.773   1.294   0.776  0.00  0.00    +0.023 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.872   0.595  -2.262  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1        6.459   1.230  -1.012  0.00  0.00    -0.336 N 
ATOM     20  C   LIG    1        7.526   1.467  -0.042  0.00  0.00    +0.129 C 
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -2.187   0.019   0.827  0.00  0.00    +0.186 C 
ATOM     22  O   LIG    1       -2.033   0.895   1.685  0.00  0.00    -0.290 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.970   0.280  -0.389  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -3.547   1.533  -0.794  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.202   1.325  -2.009  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -4.876   2.343  -2.695  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -4.882   3.618  -2.123  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.240   3.861  -0.912  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -4.041   0.001  -2.334  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1       -4.422  -0.435  -3.163  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -3.572   2.831  -0.240  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -3.297  -0.636  -1.375  0.00  0.00    +0.095 A 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8