REMARK  Name = BDB060910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.072   1.530   0.019  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1       -0.172   0.520   0.350  0.00  0.00    +0.131 A 
ATOM      3  N   LIG    1       -0.972  -0.615   0.466  0.00  0.00    -0.287 N 
ATOM      4  C   LIG    1       -2.264  -0.244   0.111  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1       -3.269  -1.252   0.116  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -2.977  -2.527   0.466  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -1.600  -2.866   0.849  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -0.644  -1.921   0.837  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -2.342   1.035  -0.175  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.978  -3.549   0.476  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -5.148  -3.546   1.202  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -5.781  -2.612   2.153  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -5.830  -4.695   0.948  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -5.118  -5.472   0.054  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -4.009  -4.778  -0.234  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -3.023  -5.328  -1.192  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     17  C   LIG    1       -0.300   5.696  -0.450  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1        0.113   5.029   0.706  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -0.137   3.664   0.870  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -0.791   2.944  -0.134  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -1.223   3.617  -1.282  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -0.974   4.985  -1.444  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -0.412   7.757  -1.629  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        0.008   7.028  -0.482  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   2  25
ATOM     25  N   LIG    1        1.183   0.464   0.548  0.00  0.00    -0.318 N 
ATOM     26  H   LIG    1        1.627  -0.446   0.685  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        2.083   1.355  -0.215  0.00  0.00    +0.224 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.480   0.753  -0.391  0.00  0.00    +0.325 C 
ATOM     29  O   LIG    1        4.431   1.372  -0.849  0.00  0.00    -0.249 OA
BRANCH  28  30
ATOM     30  O   LIG    1        3.503  -0.555   0.003  0.00  0.00    -0.458 OA
BRANCH  30  31
ATOM     31  C   LIG    1        4.722  -1.337  -0.084  0.00  0.00    +0.105 C 
ATOM     32  C   LIG    1        5.821  -0.758   0.813  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        5.185  -1.486  -1.537  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        4.331  -2.723   0.451  0.00  0.00    +0.055 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 8