@MOLECULE 91618083 66 71 1 SMALL USER_CHARGES @ATOM 1 F1 -1.0020 2.6182 -0.0183 F 1 noname -0.2424 2 O1 -1.1106 -4.0844 -3.5018 O.3 1 noname -0.3321 3 O2 -3.1904 -3.0721 -3.5632 O.3 1 noname -0.3430 4 O3 1.8845 -2.9578 0.6979 O.3 1 noname -0.3926 5 O4 -0.6861 -6.5033 -2.2662 O.2 1 noname -0.2770 6 O5 -4.1821 -6.1509 -1.6264 O.3 1 noname -0.3883 7 O6 2.7701 2.6940 -3.0303 O.2 1 noname -0.3031 8 C1 -0.7585 -3.6280 -1.0856 C.3 1 noname 0.0122 9 C2 -1.2470 -2.1310 -1.2284 C.3 1 noname -0.0266 10 C3 -1.6603 -4.3294 -2.1795 C.3 1 noname 0.1637 11 C4 -0.5549 -1.0918 -0.2795 C.3 1 noname -0.0283 12 C5 -2.9663 -3.4390 -2.2119 C.3 1 noname 0.0982 13 C6 0.9652 -1.1093 -0.7056 C.3 1 noname 0.0008 14 C7 -2.7668 -2.2233 -1.3080 C.3 1 noname -0.0195 15 C8 0.7860 -3.6717 -1.3485 C.3 1 noname -0.0177 16 C9 1.5998 -2.5572 -0.6370 C.3 1 noname 0.0590 17 C10 1.8177 0.0745 -0.1005 C.3 1 noname 0.0156 18 C11 -1.1950 0.3268 -0.4095 C.3 1 noname -0.0142 19 C12 -0.9352 -4.2533 0.3461 C.3 1 noname -0.0560 20 C13 -2.2085 -3.7378 -4.3638 C.3 1 noname 0.1701 21 C14 -1.7520 -5.8510 -2.0964 C.2 1 noname 0.1763 22 C15 -0.3436 1.4384 0.2311 C.3 1 noname 0.1228 23 C16 1.0195 1.3249 -0.3416 C.2 1 noname -0.0069 24 C17 -2.7574 -4.9514 -5.1507 C.3 1 noname 0.0015 25 C18 -1.7927 -2.7886 -5.4939 C.3 1 noname 0.0015 26 C19 2.1605 -0.0194 1.4081 C.3 1 noname -0.0518 27 C20 3.0970 0.0197 -0.8441 C.2 1 noname -0.0394 28 C21 -3.3508 -4.4012 -6.4537 C.3 1 noname -0.0480 29 C22 -2.8814 -2.9465 -6.5633 C.3 1 noname -0.0480 30 C23 -2.8983 -6.7172 -1.8679 C.3 1 noname 0.1049 31 C24 1.4675 2.2391 -1.2298 C.2 1 noname 0.0324 32 C25 3.3640 0.8666 -1.8470 C.2 1 noname 0.0167 33 C26 2.5562 1.9611 -2.0430 C.2 1 noname 0.0664 34 H1 -1.0190 -1.7780 -2.2473 H 1 noname 0.0313 35 H2 -0.6598 -1.3896 0.7668 H 1 noname 0.0311 36 H3 -3.8635 -3.8881 -1.8194 H 1 noname 0.0640 37 H4 0.9428 -0.8865 -1.7862 H 1 noname 0.0344 38 H5 -3.1702 -2.4365 -0.3181 H 1 noname 0.0297 39 H6 -3.2390 -1.3168 -1.6868 H 1 noname 0.0297 40 H7 0.9733 -3.6296 -2.4214 H 1 noname 0.0300 41 H8 1.1745 -4.6462 -1.0528 H 1 noname 0.0300 42 H9 2.5413 -2.5766 -1.1775 H 1 noname 0.0603 43 H10 -2.1861 0.3212 0.0442 H 1 noname 0.0302 44 H11 -1.2413 0.5486 -1.4757 H 1 noname 0.0302 45 H12 -0.5714 -5.2808 0.3412 H 1 noname 0.0237 46 H13 -1.9903 -4.2427 0.6195 H 1 noname 0.0237 47 H14 -0.3664 -3.6699 1.0701 H 1 noname 0.0237 48 H15 -0.3380 1.3114 1.3115 H 1 noname 0.0709 49 H16 -3.5425 -5.4359 -4.5700 H 1 noname 0.0321 50 H17 -1.9256 -5.6108 -5.3982 H 1 noname 0.0321 51 H18 -1.7919 -1.7630 -5.1250 H 1 noname 0.0321 52 H19 -0.8379 -3.1173 -5.9041 H 1 noname 0.0321 53 H20 2.7474 0.8508 1.7022 H 1 noname 0.0242 54 H21 1.2387 -0.0491 1.9890 H 1 noname 0.0242 55 H22 2.7365 -0.9259 1.5941 H 1 noname 0.0242 56 H23 3.7583 -0.7030 -0.6976 H 1 noname 0.0586 57 H24 2.2746 -3.8568 0.6930 H 1 noname 0.2104 58 H25 -4.4390 -4.4286 -6.3974 H 1 noname 0.0268 59 H26 -2.9955 -5.0139 -7.2822 H 1 noname 0.0268 60 H27 -3.7125 -2.2786 -6.3372 H 1 noname 0.0268 61 H28 -2.5258 -2.6957 -7.5627 H 1 noname 0.0268 62 H29 -2.9689 -7.4468 -2.6747 H 1 noname 0.0647 63 H30 -2.6313 -7.3435 -1.0166 H 1 noname 0.0647 64 H31 1.0110 3.1135 -1.3740 H 1 noname 0.0664 65 H32 4.1210 0.6814 -2.4711 H 1 noname 0.0660 66 H33 -4.8361 -6.8686 -1.4939 H 1 noname 0.2106 @BOND 1 22 1 1 2 2 10 1 3 2 20 1 4 3 12 1 5 3 20 1 6 16 4 1 7 4 57 1 8 5 21 2 9 6 30 1 10 6 66 1 11 7 33 2 12 8 9 1 13 8 10 1 14 8 15 1 15 8 19 1 16 9 11 1 17 9 14 1 18 9 34 1 19 10 12 1 20 10 21 1 21 11 13 1 22 11 18 1 23 11 35 1 24 12 14 1 25 12 36 1 26 13 16 1 27 13 17 1 28 13 37 1 29 14 38 1 30 14 39 1 31 15 16 1 32 15 40 1 33 15 41 1 34 16 42 1 35 17 23 1 36 17 26 1 37 17 27 1 38 18 22 1 39 18 43 1 40 18 44 1 41 19 45 1 42 19 46 1 43 19 47 1 44 20 24 1 45 20 25 1 46 21 30 1 47 22 23 1 48 22 48 1 49 23 31 2 50 24 28 1 51 24 49 1 52 24 50 1 53 25 29 1 54 25 51 1 55 25 52 1 56 26 53 1 57 26 54 1 58 26 55 1 59 27 32 2 60 27 56 1 61 28 29 1 62 28 58 1 63 28 59 1 64 29 60 1 65 29 61 1 66 30 62 1 67 30 63 1 68 31 33 1 69 31 64 1 70 32 33 1 71 32 65 1 @SUBSTRUCTURE 1 noname 1