Cyclopentane 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 C 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ Furan 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 C 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 O 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ Pyrrole 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 C 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 N 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ 3-pyrroline 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 C 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ Pyrrolidine 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 C 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ 1,3-dioxolane 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 O 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 O 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ Pyrazole 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 C 0 0 0 0 0 2.1200 0.0000 0.0000 N 0 0 0 0 0 1.0600 -1.0600 0.0000 N 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ 2-Pyrazoline 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 C 0 0 0 0 0 2.1200 0.0000 0.0000 N 0 0 0 0 0 1.0600 -1.0600 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ Pyrazolidine 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 C 0 0 0 0 0 2.1200 0.0000 0.0000 N 0 0 0 0 0 1.0600 -1.0600 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ Imidazole 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 N 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 N 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ Oxazole 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 N 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 O 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ Thiazole 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 N 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 S 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ 1,2,3-Oxadiazale 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 N 0 0 0 0 0 2.1200 0.0000 0.0000 N 0 0 0 0 0 1.0600 -1.0600 0.0000 O 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ 1,2,3-Triazole 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 2.1200 1.5000 0.0000 N 0 0 0 0 0 2.1200 0.0000 0.0000 N 0 0 0 0 0 1.0600 -1.0600 0.0000 N 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ 1,3,4-Thiadiazole 5 5 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 N 0 0 0 0 0 2.1200 1.5000 0.0000 N 0 0 0 0 0 2.1200 0.0000 0.0000 C 0 0 0 0 0 1.0600 -1.0600 0.0000 S 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 $$$$ 4H-Pyran 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 O 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 $$$$ Pyridine 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 $$$$ Piperidine 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 $$$$ p-Dioxane 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 O 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 O 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 $$$$ Morpholine 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 N 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 O 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 $$$$ Pyridazine 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 N 0 0 0 0 0 1.2500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 $$$$ Pyrimidine 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 N 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 $$$$ Pyrazine 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 N 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 $$$$ Piperazine 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 N 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 $$$$ s-Triazine 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 N 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 N 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 $$$$ s-Trithiane 6 6 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 S 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 S 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 S 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 $$$$ Norbornane 7 8 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 0.7500 0.7500 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 3 7 1 0 0 0 6 7 1 0 0 0 $$$$ Indene 9 10 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 4.6200 1.5000 0.0000 C 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 $$$$ Naphtalene 10 11 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 3.7500 2.2500 0.0000 C 0 0 0 0 0 5.0000 1.5000 0.0000 C 0 0 0 0 0 5.0000 0.0000 0.0000 C 0 0 0 0 0 3.7500 -0.7500 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 $$$$ Benzofuran 9 10 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 4.6200 1.5000 0.0000 C 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 O 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 $$$$ Indole 9 10 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 4.6200 1.5000 0.0000 C 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 $$$$ Thionaphthene 9 10 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 4.6200 1.5000 0.0000 C 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 S 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 $$$$ Benzimidazole 9 10 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 4.6200 1.5000 0.0000 N 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 $$$$ Benzothiazole 9 10 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 4.6200 1.5000 0.0000 N 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 S 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 $$$$ Purine 9 10 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 N 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 N 0 0 0 0 0 4.6200 1.5000 0.0000 N 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 $$$$ Quinoline 10 11 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 3.7500 2.2500 0.0000 C 0 0 0 0 0 5.0000 1.5000 0.0000 C 0 0 0 0 0 5.0000 0.0000 0.0000 C 0 0 0 0 0 3.7500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 $$$$ Isoquinoline 10 11 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 3.7500 2.2500 0.0000 C 0 0 0 0 0 5.0000 1.5000 0.0000 C 0 0 0 0 0 5.0000 0.0000 0.0000 N 0 0 0 0 0 3.7500 -0.7500 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 $$$$ Coumarin 11 12 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 3.7500 2.2500 0.0000 C 0 0 0 0 0 5.0000 1.5000 0.0000 C 0 0 0 0 0 5.0000 0.0000 0.0000 C 0 0 0 0 0 3.7500 -0.7500 0.0000 O 0 0 0 0 0 6.2500 -0.7500 0.0000 O 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 5 10 1 0 0 0 9 11 2 0 0 0 $$$$ Cinnoline 10 11 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 3.7500 2.2500 0.0000 C 0 0 0 0 0 5.0000 1.5000 0.0000 C 0 0 0 0 0 5.0000 0.0000 0.0000 N 0 0 0 0 0 3.7500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 $$$$ Quinoxaline 10 11 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 3.7500 2.2500 0.0000 N 0 0 0 0 0 5.0000 1.5000 0.0000 C 0 0 0 0 0 5.0000 0.0000 0.0000 C 0 0 0 0 0 3.7500 -0.7500 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 $$$$ Fluorene 13 15 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 4.6200 1.5000 0.0000 C 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 C 0 0 0 0 0 5.8700 2.2500 0.0000 C 0 0 0 0 0 7.1200 1.5000 0.0000 C 0 0 0 0 0 7.1200 0.0000 0.0000 C 0 0 0 0 0 5.8700 -0.7500 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 13 1 0 0 0 $$$$ Dibenzofuran 13 15 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 4.6200 1.5000 0.0000 C 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 O 0 0 0 0 0 5.8700 2.2500 0.0000 C 0 0 0 0 0 7.1200 1.5000 0.0000 C 0 0 0 0 0 7.1200 0.0000 0.0000 C 0 0 0 0 0 5.8700 -0.7500 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 13 1 0 0 0 $$$$ Carbazole 13 15 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 4.6200 1.5000 0.0000 C 0 0 0 0 0 4.6200 0.0000 0.0000 C 0 0 0 0 0 3.5600 -1.0600 0.0000 N 0 0 0 0 0 5.8700 2.2500 0.0000 C 0 0 0 0 0 7.1200 1.5000 0.0000 C 0 0 0 0 0 7.1200 0.0000 0.0000 C 0 0 0 0 0 5.8700 -0.7500 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 5 9 1 0 0 0 7 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 8 13 1 0 0 0 $$$$ Anthracene 14 16 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 3.7500 2.2500 0.0000 C 0 0 0 0 0 5.0000 1.5000 0.0000 C 0 0 0 0 0 5.0000 0.0000 0.0000 C 0 0 0 0 0 3.7500 -0.7500 0.0000 C 0 0 0 0 0 6.2500 2.2500 0.0000 C 0 0 0 0 0 7.5000 1.5000 0.0000 C 0 0 0 0 0 7.5000 0.0000 0.0000 C 0 0 0 0 0 6.2500 -0.7500 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 $$$$ Acridine 14 16 0.0000 0.0000 0.0000 C 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 1.2500 2.2500 0.0000 C 0 0 0 0 0 2.5000 1.5000 0.0000 C 0 0 0 0 0 2.5000 0.0000 0.0000 C 0 0 0 0 0 1.2500 -0.7500 0.0000 C 0 0 0 0 0 3.7500 2.2500 0.0000 C 0 0 0 0 0 5.0000 1.5000 0.0000 C 0 0 0 0 0 5.0000 0.0000 0.0000 C 0 0 0 0 0 3.7500 -0.7500 0.0000 N 0 0 0 0 0 6.2500 2.2500 0.0000 C 0 0 0 0 0 7.5000 1.5000 0.0000 C 0 0 0 0 0 7.5000 0.0000 0.0000 C 0 0 0 0 0 6.2500 -0.7500 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 1 2 0 0 0 4 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 5 10 1 0 0 0 8 11 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 $$$$