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phb.ljc.example
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12 BENZENO
1 6 1.407784 0.000000 0.000000 0.00000000 0.1100 3.7500
1 6 0.796966 1.274231 -0.338230 0.00000000 0.1100 3.7500
1 6 -0.703892 1.219173 -0.000000 0.00000000 0.1100 3.7500
1 6 -1.389932 -0.018988 0.227698 0.00000000 0.1100 3.7500
1 6 -0.703892 -1.219173 0.000000 0.00000000 0.1100 3.7500
1 6 0.703892 -1.219173 0.000000 0.00000000 0.1100 3.7500
2 1 2.501890 -0.000000 0.000000 0.00000000 0.0000 0.0000
2 1 1.415017 2.294961 -0.608843 0.00000000 0.0000 0.0000
2 1 -1.250943 2.166698 -0.000000 0.00000000 0.0000 0.0000
2 1 -2.501890 0.000000 0.000000 0.00000000 0.0000 0.0000
2 1 -0.519043 -2.235211 0.017991 0.00000000 0.0000 0.0000
2 1 1.250943 -2.166698 -0.000000 0.00000000 0.0000 0.0000
16 PLACEHOLDER
1 6 0.672026 -2.823446 0.002631 -0.11500000 0.0700 3.5500
1 6 2.072026 -2.823446 0.002631 -0.11500000 0.0700 3.5500
1 6 2.768235 -1.617645 0.002633 -0.11500000 0.0700 3.5500
1 6 2.068235 -0.405210 0.002635 -0.11500000 0.0700 3.5500
1 14 0.675894 -0.405219 0.002635 0.15000000 0.0700 3.5500
1 10 -0.024198 -1.617602 0.002633 -0.11500000 0.0700 3.5500
2 1 0.132026 -3.758753 0.002629 0.11500000 0.0300 2.4200
2 1 2.612026 -3.758753 0.002629 0.11500000 0.0300 2.4200
2 1 2.608235 0.530098 0.002636 0.11500000 0.0300 2.4200
2 1 -1.104198 -1.617602 0.002633 0.11500000 0.0300 2.4200
3 8 -0.004114 0.772571 0.002637 -0.58500000 0.1700 3.0700
3 1 0.619778 1.502200 0.002638 0.43500000 0.0000 0.0000
4 6 4.278235 -1.617645 0.002633 0.11500000 0.1700 3.8000
4 1 4.634902 -0.743994 0.507036 0.00000000 0.0000 0.0000
4 1 4.634902 -2.491297 0.507036 0.00000000 0.0000 0.0000
4 1 4.634902 -1.617645 -1.006173 0.00000000 0.0000 0.0000