# 6 member substitution

Pyridine
6     -1.219557   -0.580364    0.000000
6     -0.071127   -1.370527    0.000000
6      1.169232   -0.738454    0.000000
6      1.207016    0.653164    0.000000
6       0.000000    1.350595    0.000000
7      -1.197773    0.756463    0.000000
1       2.085999   -1.317527    0.000000
1      -2.203481   -1.041047    0.000000
1      -0.152413   -2.451047    0.000000
1       2.147749    1.190899    0.000000
1      -0.006828    2.436999    0.000000

Pyridazine
7     0.000000    0.665698   -1.228545
6     0.000000    1.322178   -0.067807
6     0.000000    0.690789    1.177694
6     0.000000   -0.690789    1.177694
6     0.000000   -1.322178   -0.067807
7     0.000000   -0.665698   -1.228545
1     0.000000    1.269052    2.094181
1     0.000000    2.403771   -0.153681
1     0.000000   -1.269052    2.094181
1     0.000000   -2.403771   -0.153681

Pyrimidine
6     0.000000    0.000000   -1.309860
7     0.000000    1.194934   -0.714173
6     0.000000    1.183265    0.622042
6     0.000000    0.000000    1.353474
6     0.000000   -1.183265    0.622042
7     0.000000   -1.194934   -0.714173
1     0.000000    2.151072    1.115810
1     0.000000    0.000000   -2.395805
1     0.000000    0.000000    2.436410
1     0.000000   -2.151072    1.115810

Pyrazine
6     0.000000    1.132301    0.697482
6     0.000000    1.132301   -0.697482
7     0.000000    0.000000   -1.404299
6     0.000000   -1.132301   -0.697482
6     0.000000   -1.132301    0.697482
7     0.000000    0.000000    1.404299
1     0.000000    2.064259    1.254860
1     0.000000    2.064259   -1.254860
1     0.000000   -2.064259   -1.254860
1     0.000000   -2.064259    1.254860

Triazine
6    0.000000    0.000000   -1.294350
7    0.000000    1.187239   -0.685473
6    0.000000    1.120921    0.647174
6    0.000000   -1.120921    0.647174
7    0.000000   -1.187239   -0.685473
1    0.000000    2.061628    1.190259
1    0.000000    0.000000   -2.380573
1    0.000000   -2.061628    1.190259
7    0.000000    0.000000    1.370956

# 5 member substitution

X=CH-
6     0.372001    1.144849    0.000000
1     0.707445    2.177331    0.000000
6    -0.973909    0.707543    0.000000
1    -1.852134    1.345710    0.000000
6     0.372001   -1.144849    0.000000
1     0.707445   -2.177331    0.000000
6    -0.973909   -0.707543    0.000000
1    -1.852134   -1.345710    0.000000
6     1.203812    0.000000    0.000000
1     2.289401    0.000000    0.000000

X=NH
6                     0.000000    1.124886    0.331177
6                     0.000000    0.712382   -0.982359
6                     0.000000   -0.712382   -0.982359
6                     0.000000   -1.124886    0.331177
7                     0.000000    0.000000    1.121570
1                     0.000000    0.000000    2.127602
1                     0.000000    2.112170    0.763257
1                     0.000000    1.359416   -1.845462
1                     0.000000   -1.359416   -1.845462
1                     0.000000   -2.112170    0.763257

X=O
6                     0.000000    0.717679   -0.957756
6                     0.000000   -0.717679   -0.957756
6                     0.000000   -1.095144    0.346923
8                     0.000000    0.000000    1.158526
6                     0.000000    1.095144    0.346923
1                     0.000000    1.373404   -1.813697
1                     0.000000   -1.373404   -1.813697
1                     0.000000   -2.049761    0.844593
1                     0.000000    2.049761    0.844593

X=CH2
6                     0.000000    0.734115   -0.990161
6                     0.000000   -0.734115   -0.990161
6                     0.000000   -1.179318    0.281653
6                     0.000000    0.000000    1.216052
6                     0.000000    1.179318    0.281653
1                     0.000000    1.347888   -1.881848
1                     0.000000   -1.347888   -1.881848
1                     0.000000   -2.210462    0.607439
1                    -0.877146    0.000000    1.877297
1                     0.877146    0.000000    1.877297
1                     0.000000    2.210462    0.607439
