@MOLECULE 117587597 29 30 1 SMALL USER_CHARGES @ATOM 1 F1 1.4814 -2.3509 0.0785 F 1 noname -0.2399 2 O1 -0.9400 -1.9326 -1.3782 O.3 1 noname -0.3505 3 O2 -1.2550 -4.5014 0.6910 O.3 1 noname -0.3870 4 O3 -0.8307 -3.3300 -3.8299 O.3 1 noname -0.3934 5 O4 1.9116 -0.5896 -0.2525 O.2 1 noname -0.2486 6 N1 -0.3017 -0.1130 0.1077 N.3 1 noname 0.0556 7 N2 1.3987 1.5475 0.3265 N.2 1 noname -0.1587 8 N3 0.8672 3.7514 0.8918 N.3 1 noname -0.1313 9 C1 -0.3004 -3.8748 -0.1530 C.3 1 noname 0.1177 10 C2 0.2062 -2.6124 0.5088 C.3 1 noname 0.1688 11 C3 -0.9969 -3.3673 -1.4264 C.3 1 noname 0.1117 12 C4 -0.7510 -1.5121 -0.0137 C.3 1 noname 0.1567 13 C5 -0.2372 -3.8668 -2.6569 C.3 1 noname 0.0722 14 C6 -1.2486 0.8714 0.3692 C.2 1 noname -0.0515 15 C7 1.0404 0.2542 0.0498 C.2 1 noname 0.1025 16 C8 -0.9349 2.2322 0.6427 C.2 1 noname -0.0083 17 C9 0.4542 2.5063 0.6187 C.2 1 noname -0.0358 18 H1 0.5201 -4.5505 -0.3945 H 1 noname 0.0661 19 H2 0.2270 -2.6792 1.5966 H 1 noname 0.0732 20 H3 -1.7210 -1.6353 0.5158 H 1 noname 0.0819 21 H4 -2.0212 -3.7401 -1.4329 H 1 noname 0.0656 22 H5 -0.2803 -4.9554 -2.6934 H 1 noname 0.0591 23 H6 0.8029 -3.5463 -2.5966 H 1 noname 0.0591 24 H7 -1.5832 -5.3192 0.2622 H 1 noname 0.2107 25 H8 -2.2319 0.6004 0.3645 H 1 noname 0.0759 26 H9 -0.3441 -3.6499 -4.6180 H 1 noname 0.2101 27 H10 -1.6419 2.9412 0.8372 H 1 noname 0.0666 28 H11 1.8350 3.7901 0.8384 H 1 noname 0.1257 29 H12 0.4830 4.3678 0.2489 H 1 noname 0.1257 @BOND 1 10 1 1 2 2 11 1 3 2 12 1 4 9 3 1 5 3 24 1 6 4 13 1 7 4 26 1 8 5 15 2 9 12 6 1 10 6 14 1 11 6 15 1 12 7 15 1 13 7 17 2 14 8 17 1 15 8 28 1 16 8 29 1 17 9 10 1 18 9 11 1 19 9 18 1 20 10 12 1 21 10 19 1 22 11 13 1 23 11 21 1 24 12 20 1 25 13 22 1 26 13 23 1 27 14 16 2 28 14 25 1 29 16 17 1 30 16 27 1 @SUBSTRUCTURE 1 noname 1