@MOLECULE 76956329 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 -4.4580 -0.8487 0.2779 Cl 1 noname -0.0843 2 F1 -0.9020 3.5522 -1.6231 F 1 noname -0.1664 3 F2 0.2429 2.7972 -3.3928 F 1 noname -0.1664 4 F3 -1.7819 1.9616 -2.9300 F 1 noname -0.1664 5 O1 1.2272 2.0478 -1.0200 O.3 1 noname -0.1638 6 O2 3.1349 1.5453 0.3368 O.2 1 noname -0.2302 7 N1 0.9555 1.2321 1.2121 N.3 1 noname -0.1075 8 C1 0.0313 1.3591 -1.4999 C.3 1 noname 0.2608 9 C2 -0.8657 0.8633 -0.3792 C.2 1 noname 0.0067 10 C3 -0.3268 0.8434 0.9644 C.2 1 noname 0.0031 11 C4 -0.6212 2.4489 -2.3870 C.3 1 noname 0.4337 12 C5 -2.1867 0.3248 -0.5699 C.2 1 noname 0.0009 13 C6 -1.0545 0.3133 2.0679 C.2 1 noname -0.0173 14 C7 1.8940 1.6004 0.1972 C.2 1 noname 0.1376 15 C8 0.4587 0.2005 -2.4342 C.1 1 noname -0.0534 16 C9 -2.9158 -0.2122 0.5281 C.2 1 noname -0.0056 17 C10 -2.3535 -0.2162 1.8360 C.2 1 noname -0.0175 18 C11 0.7883 -0.6928 -3.1546 C.1 1 noname -0.0514 19 C12 1.1366 -1.6370 -3.9161 C.2 1 noname -0.0502 20 C13 0.2134 -2.3997 -4.4947 C.2 1 noname -0.0599 21 C14 0.6081 -3.4696 -5.3575 C.3 1 noname -0.0460 22 H1 -2.6042 0.3280 -1.5005 H 1 noname 0.0643 23 H2 1.2508 1.2610 2.1356 H 1 noname 0.1396 24 H3 -0.6522 0.3136 3.0052 H 1 noname 0.0640 25 H4 -2.8877 -0.6027 2.6142 H 1 noname 0.0638 26 H5 2.0970 -1.8100 -4.0827 H 1 noname 0.0716 27 H6 -0.7471 -2.2268 -4.3281 H 1 noname 0.0579 28 H7 0.1935 -3.3060 -6.3522 H 1 noname 0.0273 29 H8 0.2357 -4.4136 -4.9595 H 1 noname 0.0273 30 H9 1.6958 -3.5049 -5.4185 H 1 noname 0.0273 @BOND 1 1 16 1 2 2 11 1 3 3 11 1 4 4 11 1 5 5 8 1 6 5 14 1 7 6 14 2 8 7 10 1 9 7 14 1 10 7 23 1 11 8 9 1 12 8 11 1 13 8 15 1 14 9 10 2 15 9 12 1 16 10 13 1 17 12 16 2 18 12 22 1 19 13 17 2 20 13 24 1 21 15 18 3 22 16 17 1 23 17 25 1 24 18 19 1 25 19 20 2 26 19 26 1 27 20 21 1 28 20 27 1 29 21 28 1 30 21 29 1 31 21 30 1 @SUBSTRUCTURE 1 noname 1