@MOLECULE 125465 48 50 1 SMALL USER_CHARGES @ATOM 1 F1 3.3358 1.4948 -1.7058 F 1 noname -0.1675 2 C1 4.4466 1.5487 -0.9040 C.3 1 noname 0.4209 3 F2 5.3789 0.6498 -1.3536 F 1 noname -0.1675 4 F3 4.9758 2.8129 -0.9407 F 1 noname -0.1675 5 C2 4.0550 1.2014 0.5337 C.3 1 noname 0.1839 6 O1 3.5069 -0.1080 0.5718 O.3 1 noname -0.3763 7 C3 3.0622 2.1587 1.0125 C.2 1 noname -0.0189 8 C4 5.2946 1.2616 1.4286 C.3 1 noname -0.0227 9 C5 3.4423 3.3462 1.6632 C.2 1 noname 0.0245 10 C6 1.6843 1.9332 0.8431 C.2 1 noname 0.0102 11 N1 2.4842 4.2132 2.0948 N.2 1 noname -0.2435 12 C7 0.6627 2.8421 1.2949 C.2 1 noname 0.0153 13 C8 1.1248 4.0542 1.9617 C.2 1 noname 0.0638 14 C9 -0.6600 2.3710 0.9955 C.2 1 noname 0.0827 15 N2 0.6165 5.2070 2.5625 N.3 1 noname 0.0131 16 N3 -1.7691 3.0821 1.3381 N.2 1 noname -0.2171 17 N4 -0.8592 1.1633 0.3404 N.2 1 noname -0.2385 18 C10 -0.4784 5.9398 2.9172 C.2 1 noname -0.0101 19 C11 -3.0244 2.6346 1.0538 C.2 1 noname 0.0964 20 C12 -2.0976 0.6911 0.0434 C.2 1 noname 0.0686 21 C13 -0.2532 7.1867 3.5943 C.2 1 noname 0.0077 22 C14 -1.8317 5.5849 2.6792 C.2 1 noname -0.0265 23 N5 -3.1626 1.4483 0.4123 N.2 1 noname -0.2273 24 N6 -4.1009 3.3529 1.4014 N.3 1 noname -0.0771 25 C15 -2.2769 -0.5830 -0.6467 C.3 1 noname 0.0696 26 N7 -1.3473 7.9574 3.9694 N.2 1 noname -0.2277 27 C16 -2.9529 6.3703 3.0612 C.2 1 noname 0.0028 28 C17 -2.6568 7.5891 3.7257 C.2 1 noname 0.0326 29 O2 -3.6635 8.3959 4.1233 O.3 1 noname -0.2487 30 C18 -4.0580 8.0460 5.4417 C.3 1 noname 0.0440 31 H1 3.3927 -0.3807 1.4851 H 1 noname 0.2117 32 H2 4.9886 1.2467 2.4746 H 1 noname 0.0266 33 H3 5.9323 0.4015 1.2243 H 1 noname 0.0266 34 H4 5.8460 2.1794 1.2243 H 1 noname 0.0266 35 H5 4.4891 3.5970 1.8347 H 1 noname 0.0843 36 H6 1.3948 1.0116 0.3383 H 1 noname 0.0636 37 H7 1.3937 5.7635 2.8885 H 1 noname 0.1358 38 H8 0.7491 7.5484 3.8237 H 1 noname 0.0857 39 H9 -2.0235 4.6423 2.1665 H 1 noname 0.0641 40 H10 -4.0211 4.3512 1.5324 H 1 noname 0.1273 41 H11 -4.9921 2.8960 1.5324 H 1 noname 0.1273 42 H12 -2.3892 -1.3810 0.0872 H 1 noname 0.0312 43 H13 -3.1690 -0.5355 -1.2712 H 1 noname 0.0312 44 H14 -1.4064 -0.7836 -1.2712 H 1 noname 0.0312 45 H15 -3.9768 6.0571 2.8571 H 1 noname 0.0667 46 H16 -4.0863 6.9605 5.5365 H 1 noname 0.0535 47 H17 -3.3426 8.4544 6.1555 H 1 noname 0.0535 48 H18 -5.0479 8.4544 5.6453 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 5 2 1 5 5 6 1 6 5 7 1 7 5 8 1 8 7 9 2 9 7 10 1 10 9 11 1 11 10 12 2 12 11 13 2 13 12 14 1 14 12 13 1 15 13 15 1 16 14 16 2 17 14 17 1 18 15 18 1 19 16 19 1 20 17 20 2 21 18 21 2 22 18 22 1 23 19 23 2 24 19 24 1 25 20 25 1 26 20 23 1 27 21 26 1 28 22 27 2 29 26 28 2 30 27 28 1 31 28 29 1 32 29 30 1 33 6 31 1 34 8 32 1 35 8 33 1 36 8 34 1 37 9 35 1 38 10 36 1 39 15 37 1 40 21 38 1 41 22 39 1 42 24 40 1 43 24 41 1 44 25 42 1 45 25 43 1 46 25 44 1 47 27 45 1 48 30 46 1 49 30 47 1 50 30 48 1 @SUBSTRUCTURE 1 noname 1