@MOLECULE perfluorooctane 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 F 0.5947 -1.2662 -1.0264 F 1 UNL1111111111 0.0678 2 F 0.5988 -1.2697 1.0842 F 1 UNL1111111111 0.0881 3 F -0.6139 1.2394 1.1190 F 1 UNL1111111111 0.0728 4 F -0.5840 1.3082 -0.9905 F 1 UNL1111111111 0.0354 5 F 2.0346 1.1354 1.0977 F 1 UNL1111111111 0.0462 6 F 2.0183 1.1685 -1.0121 F 1 UNL1111111111 0.0290 7 F -2.0031 -1.1244 -1.0818 F 1 UNL1111111111 0.0507 8 F -2.0427 -1.1723 1.0270 F 1 UNL1111111111 0.0739 9 F 3.2515 -1.3702 1.0827 F 1 UNL1111111111 0.0773 10 F 3.1915 -1.4149 -1.0266 F 1 UNL1111111111 0.0487 11 F -3.2201 1.3925 -1.0703 F 1 UNL1111111111 0.0225 12 F -3.2307 1.3945 1.0405 F 1 UNL1111111111 0.0453 13 F 5.6559 -0.5877 -0.0946 F 1 UNL1111111111 0.1075 14 F 4.6808 1.0023 -1.1087 F 1 UNL1111111111 0.0633 15 F 4.7705 0.9929 1.0159 F 1 UNL1111111111 0.0918 16 F -5.6603 0.5760 0.0090 F 1 UNL1111111111 0.0990 17 F -4.7120 -1.0297 1.0238 F 1 UNL1111111111 0.1274 18 F -4.7294 -0.9784 -1.1015 F 1 UNL1111111111 0.0955 19 C 0.6345 -0.4544 0.0300 C.3 1 UNL1111111111 -0.2209 20 C -0.6359 0.4609 0.0371 C.3 1 UNL1111111111 -0.2240 21 C 1.9850 0.3381 0.0303 C.3 1 UNL1111111111 0.0434 22 C -1.9839 -0.3339 -0.0081 C.3 1 UNL1111111111 0.0064 23 C 3.2527 -0.5793 0.0099 C.3 1 UNL1111111111 -0.0182 24 C -3.2541 0.5800 -0.0141 C.3 1 UNL1111111111 0.0478 25 C 4.6029 0.2152 -0.0449 C.3 1 UNL1111111111 -0.4060 26 C -4.6019 -0.2208 -0.0207 C.3 1 UNL1111111111 -0.4706 @BOND 1 1 19 1 2 2 19 1 3 3 20 1 4 4 20 1 5 5 21 1 6 6 21 1 7 7 22 1 8 8 22 1 9 9 23 1 10 10 23 1 11 11 24 1 12 12 24 1 13 13 25 1 14 14 25 1 15 15 25 1 16 16 26 1 17 17 26 1 18 18 26 1 19 19 20 1 20 19 21 1 21 20 22 1 22 21 23 1 23 22 24 1 24 23 25 1 25 24 26 1