@MOLECULE 90479986 46 49 1 SMALL USER_CHARGES @ATOM 1 F1 0.2490 10.0588 0.4258 F 1 noname 0.0000 2 F2 1.1098 8.3514 1.5903 F 1 noname 0.0000 3 F3 -1.0017 8.2517 0.8528 F 1 noname 0.0000 4 O1 0.9598 -1.6150 0.2465 O.3 1 noname 0.0000 5 O2 -2.3587 0.1959 1.7416 O.2 1 noname 0.0000 6 O3 0.7138 8.0986 -0.6397 O.3 1 noname 0.0000 7 N1 -2.0311 -1.2412 -0.1610 N.3 1 noname 0.0000 8 N2 -2.7075 0.6650 -2.9404 N.2 1 noname 0.0000 9 N3 -1.3851 -1.3106 -3.0198 N.2 1 noname 0.0000 10 C1 -1.3304 -2.5313 -0.0153 C.3 1 noname 0.0000 11 C2 -0.4049 0.4605 0.3667 C.2 1 noname 0.0000 12 C3 0.1153 -2.4671 -0.5554 C.3 1 noname 0.0000 13 C4 -1.6729 -0.1556 0.7574 C.2 1 noname 0.0000 14 C5 0.8208 -0.2539 0.1370 C.2 1 noname 0.0000 15 C6 -3.0267 -1.0373 -1.2176 C.3 1 noname 0.0000 16 C7 -0.4431 1.8481 0.2608 C.2 1 noname 0.0000 17 C8 0.7681 2.5422 -0.0590 C.2 1 noname 0.0000 18 C9 2.0448 0.4208 -0.1414 C.2 1 noname 0.0000 19 C10 1.9956 1.8111 -0.2382 C.2 1 noname 0.0000 20 C11 0.7580 3.9559 -0.2056 C.2 1 noname 0.0000 21 C12 -2.3618 -0.5537 -2.4177 C.2 1 noname 0.0000 22 C13 -0.4301 4.6254 -0.7070 C.2 1 noname 0.0000 23 C14 1.9319 4.7387 0.1404 C.2 1 noname 0.0000 24 C15 -0.4543 6.0287 -0.8458 C.2 1 noname 0.0000 25 C16 1.9263 6.1408 -0.0143 C.2 1 noname 0.0000 26 C17 0.7284 6.7559 -0.5000 C.2 1 noname 0.0000 27 C18 -2.0974 1.1377 -4.0672 C.2 1 noname 0.0000 28 C19 -0.7446 -0.8741 -4.1407 C.2 1 noname 0.0000 29 C20 -1.0846 0.3797 -4.7160 C.2 1 noname 0.0000 30 C21 0.2639 8.6953 0.5677 C.3 1 noname 0.0000 31 H1 -1.8825 -3.3067 -0.5463 H 1 noname 0.0000 32 H2 -1.2274 -2.7190 1.0535 H 1 noname 0.0000 33 H3 0.1034 -2.1038 -1.5829 H 1 noname 0.0000 34 H4 0.5241 -3.4749 -0.4828 H 1 noname 0.0000 35 H5 -3.7610 -0.3023 -0.8878 H 1 noname 0.0000 36 H6 -3.4148 -2.0257 -1.4633 H 1 noname 0.0000 37 H7 -1.3138 2.3588 0.4075 H 1 noname 0.0000 38 H8 2.9186 -0.0908 -0.2644 H 1 noname 0.0000 39 H9 2.8531 2.3245 -0.4417 H 1 noname 0.0000 40 H10 -1.2520 4.0770 -0.9603 H 1 noname 0.0000 41 H11 2.7653 4.2716 0.4975 H 1 noname 0.0000 42 H12 -1.2885 6.5099 -1.1821 H 1 noname 0.0000 43 H13 2.7495 6.6986 0.2127 H 1 noname 0.0000 44 H14 -2.3711 2.0439 -4.4471 H 1 noname 0.0000 45 H15 -0.0188 -1.4494 -4.5680 H 1 noname 0.0000 46 H16 -0.6219 0.7213 -5.5584 H 1 noname 0.0000 @BOND 1 1 30 1 2 2 30 1 3 3 30 1 4 4 12 1 5 4 14 1 6 5 13 2 7 6 26 1 8 6 30 1 9 7 10 1 10 7 13 1 11 7 15 1 12 8 21 1 13 8 27 2 14 9 21 2 15 9 28 1 16 10 12 1 17 10 31 1 18 10 32 1 19 11 13 1 20 11 14 2 21 11 16 1 22 12 33 1 23 12 34 1 24 14 18 1 25 15 21 1 26 15 35 1 27 15 36 1 28 16 17 2 29 16 37 1 30 17 19 1 31 17 20 1 32 18 19 2 33 18 38 1 34 19 39 1 35 20 22 2 36 20 23 1 37 22 24 1 38 22 40 1 39 23 25 2 40 23 41 1 41 24 26 2 42 24 42 1 43 25 26 1 44 25 43 1 45 27 29 1 46 27 44 1 47 28 29 2 48 28 45 1 49 29 46 1 @SUBSTRUCTURE 1 noname 1