@MOLECULE 71587916 29 30 1 SMALL USER_CHARGES @ATOM 1 F1 1.4679 -2.6021 -0.1276 F 1 noname -0.2399 2 O1 -0.0065 -0.6857 1.3879 O.3 1 noname -0.3505 3 O2 -0.9089 -3.7635 2.2151 O.3 1 noname -0.3870 4 O3 1.4488 0.0090 3.7065 O.3 1 noname -0.3934 5 O4 -2.5159 0.2357 -0.7562 O.2 1 noname -0.2486 6 N1 -0.4151 -0.6303 -1.0112 N.3 1 noname 0.0556 7 N2 -1.4290 0.6998 -2.7035 N.2 1 noname -0.1587 8 N3 -0.3284 1.1657 -4.7113 N.3 1 noname -0.1313 9 C1 0.2364 -3.0142 1.8366 C.3 1 noname 0.1177 10 C2 0.1906 -2.7399 0.3512 C.3 1 noname 0.1688 11 C3 0.1659 -1.6140 2.4711 C.3 1 noname 0.1117 12 C4 -0.5482 -1.3825 0.2495 C.3 1 noname 0.1567 13 C5 1.4806 -1.3152 3.1945 C.3 1 noname 0.0722 14 C6 0.7305 -0.6964 -1.8089 C.2 1 noname -0.0515 15 C7 -1.4941 0.1083 -1.4649 C.2 1 noname 0.1025 16 C8 0.8468 -0.1208 -3.1007 C.2 1 noname -0.0083 17 C9 -0.3149 0.5857 -3.5034 C.2 1 noname -0.0358 18 H1 1.1565 -3.5278 2.1150 H 1 noname 0.0661 19 H2 -0.2954 -3.5343 -0.2151 H 1 noname 0.0732 20 H3 -1.6252 -1.5752 0.4507 H 1 noname 0.0819 21 H4 -0.6692 -1.5922 3.1713 H 1 noname 0.0656 22 H5 1.6113 -2.0193 4.0162 H 1 noname 0.0591 23 H6 2.3108 -1.4145 2.4953 H 1 noname 0.0591 24 H7 -0.8793 -3.9414 3.1783 H 1 noname 0.2107 25 H8 1.5397 -1.1931 -1.4364 H 1 noname 0.0759 26 H9 2.2908 0.2004 4.1698 H 1 noname 0.2101 27 H10 1.6813 -0.2066 -3.6809 H 1 noname 0.0666 28 H11 -1.1805 1.6085 -4.8479 H 1 noname 0.1257 29 H12 -0.2018 0.4901 -5.3958 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