@MOLECULE 172209 42 44 1 SMALL USER_CHARGES @ATOM 1 F1 2.2894 3.8691 1.6910 F 1 noname -0.1645 2 C1 2.4495 3.7620 0.3336 C.3 1 noname 0.4330 3 F2 1.4460 4.4481 -0.3004 F 1 noname -0.1645 4 F3 3.6624 4.2899 -0.0265 F 1 noname -0.1645 5 C2 2.3969 2.3552 -0.0531 C.2 1 noname 0.0498 6 N1 1.2591 1.6241 0.2162 N.2 1 noname -0.2157 7 C3 3.5119 1.7735 -0.6944 C.2 1 noname 0.0135 8 C4 1.1222 0.2879 -0.1143 C.2 1 noname 0.0204 9 C5 3.3527 0.4097 -1.0235 C.2 1 noname -0.0168 10 C6 2.1959 -0.4157 -0.7735 C.2 1 noname -0.0028 11 C7 2.1507 -1.8452 -1.1700 C.2 1 noname -0.0043 12 C8 3.2409 -2.5591 -1.8404 C.2 1 noname 0.0159 13 C9 0.9523 -2.6086 -0.8844 C.2 1 noname -0.0191 14 C10 4.3863 -2.0329 -2.1737 C.1 1 noname -0.0190 15 C11 3.1368 -3.9319 -2.1943 C.2 1 noname 0.0221 16 C12 0.8942 -3.9716 -1.2561 C.2 1 noname -0.0088 17 C13 5.3846 -1.4178 -2.4127 C.1 1 noname -0.0286 18 N2 1.9644 -4.5610 -1.8805 N.2 1 noname -0.2572 19 C14 4.2288 -4.6358 -2.8604 C.3 1 noname 0.0440 20 C15 6.4057 -0.6499 -2.6065 C.2 1 noname -0.0258 21 C16 4.6864 -5.8077 -1.9898 C.3 1 noname -0.0597 22 C17 7.4395 -0.5712 -1.6349 C.2 1 noname 0.0129 23 C18 6.5415 0.0813 -3.8307 C.2 1 noname -0.0244 24 N3 8.5612 0.1573 -1.9557 N.2 1 noname -0.2633 25 C19 7.7136 0.8324 -4.1431 C.2 1 noname -0.0315 26 C20 8.7290 0.8306 -3.1538 C.2 1 noname 0.0172 27 N4 9.8716 1.4925 -3.3822 N.3 1 noname -0.1209 28 H1 4.4212 2.3318 -0.9172 H 1 noname 0.0645 29 H2 0.1830 -0.2030 0.1407 H 1 noname 0.0846 30 H3 4.2069 -0.0514 -1.5192 H 1 noname 0.0630 31 H4 0.0930 -2.1568 -0.3889 H 1 noname 0.0645 32 H5 0.0102 -4.5777 -1.0581 H 1 noname 0.0839 33 H6 3.8044 -5.0508 -3.7746 H 1 noname 0.0329 34 H7 5.0535 -3.9253 -2.9160 H 1 noname 0.0329 35 H8 4.5823 -5.5413 -0.9380 H 1 noname 0.0234 36 H9 4.0723 -6.6821 -2.2055 H 1 noname 0.0234 37 H10 5.7304 -6.0347 -2.2055 H 1 noname 0.0234 38 H11 7.3734 -1.0600 -0.6629 H 1 noname 0.0853 39 H12 5.7232 0.0656 -4.5507 H 1 noname 0.0637 40 H13 7.8266 1.3752 -5.0816 H 1 noname 0.0656 41 H14 10.7406 0.9850 -3.4683 H 1 noname 0.1257 42 H15 9.8637 2.4988 -3.4683 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 2 10 9 10 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 12 15 1 16 13 16 2 17 14 17 3 18 15 18 2 19 15 19 1 20 16 18 1 21 17 20 1 22 19 21 1 23 20 22 2 24 20 23 1 25 22 24 1 26 23 25 2 27 24 26 2 28 25 26 1 29 26 27 1 30 7 28 1 31 8 29 1 32 9 30 1 33 13 31 1 34 16 32 1 35 19 33 1 36 19 34 1 37 21 35 1 38 21 36 1 39 21 37 1 40 22 38 1 41 23 39 1 42 25 40 1 43 27 41 1 44 27 42 1 @SUBSTRUCTURE 1 noname 1