@MOLECULE 172293 39 41 1 SMALL USER_CHARGES @ATOM 1 F1 1.3655 4.4482 -0.1761 F 1 noname -0.1645 2 C1 2.3536 3.7622 0.4816 C.3 1 noname 0.4330 3 F2 3.5272 3.8673 -0.2192 F 1 noname -0.1645 4 F3 2.5209 4.2916 1.7352 F 1 noname -0.1645 5 C2 1.9779 2.3558 0.5935 C.2 1 noname 0.0498 6 N1 1.7582 1.6234 -0.5540 N.2 1 noname -0.2157 7 C3 1.8477 1.7760 1.8739 C.2 1 noname 0.0135 8 C4 1.3995 0.2874 -0.5422 C.2 1 noname 0.0204 9 C5 1.4811 0.4124 1.8649 C.2 1 noname -0.0168 10 C6 1.2358 -0.4143 0.7080 C.2 1 noname -0.0028 11 C7 0.8543 -1.8434 0.8307 C.2 1 noname -0.0047 12 C8 0.6892 -2.5560 2.1006 C.2 1 noname 0.0143 13 C9 0.6246 -2.6081 -0.3788 C.2 1 noname -0.0199 14 C10 0.8556 -2.0289 3.2814 C.1 1 noname -0.0194 15 C11 0.3205 -3.9278 2.1519 C.2 1 noname 0.0207 16 C12 0.2605 -3.9707 -0.2781 C.2 1 noname -0.0092 17 C13 1.0373 -1.4103 4.2896 C.1 1 noname -0.0287 18 N2 0.1271 -4.5583 0.9545 N.2 1 noname -0.2588 19 C14 0.1565 -4.6294 3.4218 C.3 1 noname 0.0382 20 C15 1.2518 -0.6341 5.3002 C.2 1 noname -0.0258 21 C16 0.1794 0.0841 5.8943 C.2 1 noname 0.0129 22 C17 2.5599 -0.5379 5.8761 C.2 1 noname -0.0244 23 N3 0.4444 0.7874 7.0462 N.2 1 noname -0.2633 24 C18 2.8133 0.1988 7.0714 C.2 1 noname -0.0315 25 C19 1.6922 0.8520 7.6427 C.2 1 noname 0.0172 26 N4 1.8428 1.5441 8.7801 N.3 1 noname -0.1209 27 H1 2.0163 2.3353 2.7942 H 1 noname 0.0645 28 H2 1.2481 -0.2046 -1.5030 H 1 noname 0.0846 29 H3 1.3771 -0.0473 2.8477 H 1 noname 0.0630 30 H4 0.7258 -2.1576 -1.3661 H 1 noname 0.0645 31 H5 0.0798 -4.5779 -1.1651 H 1 noname 0.0839 32 H6 0.1789 -5.7053 3.2480 H 1 noname 0.0296 33 H7 0.9666 -4.3534 4.0967 H 1 noname 0.0296 34 H8 -0.7986 -4.3534 3.8686 H 1 noname 0.0296 35 H9 -0.8266 0.0953 5.4747 H 1 noname 0.0853 36 H10 3.3925 -1.0435 5.3871 H 1 noname 0.0637 37 H11 3.8042 0.2590 7.5214 H 1 noname 0.0656 38 H12 2.7667 1.8050 9.0939 H 1 noname 0.1257 39 H13 1.0325 1.8050 9.3237 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 20 21 2 23 20 22 1 24 21 23 1 25 22 24 2 26 23 25 2 27 24 25 1 28 25 26 1 29 7 27 1 30 8 28 1 31 9 29 1 32 13 30 1 33 16 31 1 34 19 32 1 35 19 33 1 36 19 34 1 37 21 35 1 38 22 36 1 39 24 37 1 40 26 38 1 41 26 39 1 @SUBSTRUCTURE 1 noname 1