@MOLECULE 112500504 29 29 1 SMALL USER_CHARGES @ATOM 1 F1 -3.0891 3.0724 -0.7927 F 1 noname -0.1948 2 F2 -0.8902 3.3205 -0.4527 F 1 noname -0.1948 3 F3 -1.5450 1.1061 -1.9731 F 1 noname -0.1649 4 F4 -2.8561 0.3584 -0.3196 F 1 noname -0.1649 5 F5 -0.6572 0.6065 0.0205 F 1 noname -0.1649 6 O1 -4.2178 3.3825 3.0554 O.2 1 noname -0.2903 7 O2 -7.4616 5.0397 -0.1805 O.3 1 noname -0.2141 8 O3 -6.9642 5.7873 1.5896 O.2 1 noname -0.2415 9 N1 -2.4417 3.9003 1.7864 N.3 1 noname -0.0701 10 N2 -4.3512 5.8682 0.8852 N.3 1 noname 0.0044 11 N3 -5.3247 6.0355 -1.0490 N.2 1 noname -0.1978 12 N4 -6.5763 5.1163 0.7198 N.2 1 noname -0.1701 13 C1 -2.2258 2.5744 1.3580 C.3 1 noname 0.0762 14 C2 -1.9903 2.5588 -0.1537 C.3 1 noname 0.3536 15 C3 -4.1231 5.5866 2.2478 C.3 1 noname 0.0937 16 C4 -3.5947 4.2323 2.3830 C.2 1 noname 0.0479 17 C5 -1.7561 1.1201 -0.6185 C.3 1 noname 0.4543 18 C6 -5.4903 5.6384 0.2187 C.2 1 noname 0.0409 19 C7 -3.4675 6.4092 0.0413 C.2 1 noname -0.0732 20 C8 -4.0862 6.5179 -1.1967 C.2 1 noname 0.0183 21 H1 -3.1004 1.9688 1.5957 H 1 noname 0.0499 22 H2 -1.3522 2.1661 1.8661 H 1 noname 0.0499 23 H3 -5.0609 5.6673 2.7975 H 1 noname 0.0570 24 H4 -3.4034 6.2993 2.6505 H 1 noname 0.0570 25 H5 -1.7555 4.5721 1.6492 H 1 noname 0.1312 26 H6 -2.5132 6.6907 0.2657 H 1 noname 0.0809 27 H7 -3.6761 6.8926 -2.0522 H 1 noname 0.0854 28 H8 -8.2771 4.6476 0.1958 H 1 noname 0.2598 29 H9 -6.3888 4.2605 1.0463 H 1 noname 0.2808 @BOND 1 1 14 1 2 2 14 1 3 3 17 1 4 4 17 1 5 5 17 1 6 6 16 2 7 7 12 1 8 7 28 1 9 8 12 2 10 9 13 1 11 9 16 1 12 9 25 1 13 10 15 1 14 10 18 1 15 10 19 1 16 11 18 2 17 11 20 1 18 12 18 1 19 12 29 1 20 13 14 1 21 13 21 1 22 13 22 1 23 14 17 1 24 15 16 1 25 15 23 1 26 15 24 1 27 19 20 2 28 19 26 1 29 20 27 1 @SUBSTRUCTURE 1 noname 1