@MOLECULE 62394948 25 25 1 SMALL USER_CHARGES @ATOM 1 F1 -2.5929 4.1006 0.3466 F 1 noname -0.1661 2 F2 -0.4636 4.4601 -0.2442 F 1 noname -0.1661 3 F3 -2.0814 4.5301 -1.7903 F 1 noname -0.1661 4 O1 -1.3785 -0.5314 2.0560 O.3 1 noname -0.3877 5 O2 0.2583 -4.2192 1.3171 O.3 1 noname -0.2182 6 O3 0.3330 -2.4260 2.6777 O.2 1 noname -0.2550 7 C1 -0.4476 -0.5849 0.9851 C.3 1 noname 0.0884 8 C2 -0.8948 0.2923 -0.0929 C.2 1 noname -0.0325 9 C3 -0.3490 -2.0209 0.4664 C.3 1 noname 0.0637 10 C4 -1.0596 1.6525 0.1410 C.2 1 noname -0.0142 11 C5 -1.4854 2.4876 -0.8853 C.2 1 noname -0.0065 12 C6 -1.1558 -0.2328 -1.3532 C.2 1 noname -0.0463 13 C7 -1.7464 1.9626 -2.1456 C.2 1 noname -0.0263 14 C8 -1.5816 0.6023 -2.3795 C.2 1 noname -0.0487 15 C9 -1.6585 3.9164 -0.6396 C.3 1 noname 0.4161 16 C10 0.0982 -2.8982 1.5444 C.2 1 noname 0.1362 17 H1 0.5307 -0.2579 1.3374 H 1 noname 0.0657 18 H2 0.3656 -2.0621 -0.3557 H 1 noname 0.0403 19 H3 -1.3273 -2.3480 0.1140 H 1 noname 0.0403 20 H4 -0.8681 2.0378 1.0658 H 1 noname 0.0632 21 H5 -1.0349 -1.2310 -1.5249 H 1 noname 0.0626 22 H6 -2.0588 2.5754 -2.8987 H 1 noname 0.0628 23 H7 -1.7731 0.2170 -3.3043 H 1 noname 0.0622 24 H8 -2.2581 -0.8254 1.7392 H 1 noname 0.2109 25 H9 0.1225 -4.8616 2.0447 H 1 noname 0.2213 @BOND 1 1 15 1 2 2 15 1 3 3 15 1 4 4 7 1 5 4 24 1 6 5 16 1 7 5 25 1 8 6 16 2 9 7 8 1 10 7 9 1 11 7 17 1 12 8 10 2 13 8 12 1 14 9 16 1 15 9 18 1 16 9 19 1 17 10 11 1 18 10 20 1 19 11 13 2 20 11 15 1 21 12 14 2 22 12 21 1 23 13 14 1 24 13 22 1 25 14 23 1 @SUBSTRUCTURE 1 noname 1