@MOLECULE DB07530 65 66 1 SMALL USER_CHARGES @ATOM 1 F1 -7.1762 -5.1028 10.2150 F 1 noname -0.1664 2 C1 -6.0556 -5.1236 9.4254 C.3 1 noname 0.4377 3 F2 -4.9573 -5.4002 10.1979 F 1 noname -0.1664 4 F3 -5.8964 -3.9010 8.8258 F 1 noname -0.1664 5 C2 -6.2085 -6.2024 8.3513 C.3 1 noname 0.3181 6 O1 -6.3734 -7.4686 8.9723 O.3 1 noname -0.3628 7 C3 -7.2996 -5.9275 7.5838 C.1 1 noname -0.0667 8 C4 -4.9579 -6.2255 7.4701 C.3 1 noname 0.4377 9 C5 -8.2561 -5.6866 6.9111 C.1 1 noname -0.0819 10 F4 -5.0949 -7.1922 6.5076 F 1 noname -0.1664 11 F5 -3.8596 -6.5022 8.2426 F 1 noname -0.1664 12 F6 -4.7987 -5.0029 6.8705 F 1 noname -0.1664 13 C6 -9.3473 -5.4117 6.1436 C.3 1 noname 0.0096 14 C7 -9.5412 -3.8965 6.0569 C.3 1 noname -0.0363 15 C8 -10.7669 -3.5878 5.1948 C.3 1 noname -0.0259 16 C9 -10.9597 -2.0819 5.1086 C.3 1 noname -0.0236 17 C10 -12.0321 -4.1019 5.9002 C.3 1 noname -0.0467 18 C11 -10.7057 -4.1702 3.7813 C.3 1 noname -0.0591 19 C12 -12.4684 -1.9887 4.8402 C.3 1 noname -0.0173 20 C13 -10.1925 -1.5378 3.9018 C.3 1 noname -0.0588 21 C14 -10.6187 -1.3805 6.4249 C.3 1 noname -0.0588 22 C15 -13.0265 -2.9324 5.9028 C.3 1 noname -0.0459 23 C16 -12.9758 -0.6613 4.9610 C.2 1 noname -0.0754 24 C17 -12.5228 0.2299 4.0816 C.2 1 noname -0.0696 25 C18 -12.8055 1.5398 4.0074 C.2 1 noname -0.0654 26 C19 -12.2773 2.4100 3.1359 C.2 1 noname -0.0646 27 C20 -12.7474 3.7765 3.2522 C.3 1 noname -0.0053 28 C21 -11.2991 1.9633 2.1454 C.3 1 noname -0.0053 29 C22 -12.2312 4.8441 2.2404 C.3 1 noname 0.0603 30 C23 -10.6520 2.9482 1.1587 C.3 1 noname 0.0603 31 O2 -11.7155 5.9626 2.9432 O.3 1 noname -0.3926 32 C24 -11.1621 4.4061 1.2076 C.3 1 noname -0.0002 33 O3 -10.8310 2.4213 -0.1475 O.3 1 noname -0.3926 34 H1 -6.3594 -7.3615 9.9262 H 1 noname 0.2128 35 H2 -9.0919 -5.7892 5.1535 H 1 noname 0.0402 36 H3 -10.1864 -5.8412 6.6909 H 1 noname 0.0402 37 H4 -9.7701 -3.5504 7.0648 H 1 noname 0.0282 38 H5 -8.6757 -3.4984 5.5273 H 1 noname 0.0282 39 H6 -12.4564 -4.8902 5.2785 H 1 noname 0.0272 40 H7 -11.7679 -4.3084 6.9374 H 1 noname 0.0272 41 H8 -10.7081 -5.2588 3.8364 H 1 noname 0.0236 42 H9 -11.5719 -3.8333 3.2117 H 1 noname 0.0236 43 H10 -9.7936 -3.8333 3.2887 H 1 noname 0.0236 44 H11 -12.7811 -2.1936 3.8163 H 1 noname 0.0351 45 H12 -9.8142 -2.3691 3.3068 H 1 noname 0.0236 46 H13 -10.8594 -0.9283 3.2920 H 1 noname 0.0236 47 H14 -9.3573 -0.9283 4.2469 H 1 noname 0.0236 48 H15 -10.4196 -2.1272 7.1935 H 1 noname 0.0236 49 H16 -9.7352 -0.7572 6.2863 H 1 noname 0.0236 50 H17 -11.4583 -0.7572 6.7326 H 1 noname 0.0236 51 H18 -13.9883 -3.3046 5.5500 H 1 noname 0.0273 52 H19 -12.9570 -2.4305 6.8679 H 1 noname 0.0273 53 H20 -13.6960 -0.3342 5.7109 H 1 noname 0.0579 54 H21 -11.8364 -0.1607 3.3303 H 1 noname 0.0619 55 H22 -13.5304 1.9328 4.7202 H 1 noname 0.0622 56 H23 -13.8194 3.6845 3.0777 H 1 noname 0.0339 57 H24 -12.3789 4.0817 4.2316 H 1 noname 0.0339 58 H25 -10.4793 1.5920 2.7604 H 1 noname 0.0339 59 H26 -11.8732 1.2727 1.5277 H 1 noname 0.0339 60 H27 -13.1100 5.1624 1.6795 H 1 noname 0.0604 61 H28 -9.5845 2.9914 1.3749 H 1 noname 0.0604 62 H29 -11.7870 5.8076 3.8880 H 1 noname 0.2104 63 H30 -11.6448 4.5526 0.2414 H 1 noname 0.0319 64 H31 -10.2793 4.9892 1.4698 H 1 noname 0.0319 65 H32 -10.8257 1.4621 -0.1091 H 1 noname 0.2104 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 7 9 3 9 8 10 1 10 8 11 1 11 8 12 1 12 9 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 15 17 1 17 15 18 1 18 16 19 1 19 16 20 1 20 16 21 1 21 17 22 1 22 19 23 1 23 19 22 1 24 23 24 2 25 24 25 1 26 25 26 2 27 26 27 1 28 26 28 1 29 27 29 1 30 28 30 1 31 29 31 1 32 29 32 1 33 30 33 1 34 30 32 1 35 6 34 1 36 13 35 1 37 13 36 1 38 14 37 1 39 14 38 1 40 17 39 1 41 17 40 1 42 18 41 1 43 18 42 1 44 18 43 1 45 19 44 1 46 20 45 1 47 20 46 1 48 20 47 1 49 21 48 1 50 21 49 1 51 21 50 1 52 22 51 1 53 22 52 1 54 23 53 1 55 24 54 1 56 25 55 1 57 27 56 1 58 27 57 1 59 28 58 1 60 28 59 1 61 29 60 1 62 30 61 1 63 31 62 1 64 32 63 1 65 32 64 1 66 33 65 1 @SUBSTRUCTURE 1 noname 1