@MOLECULE 76957974 74 73 1 SMALL USER_CHARGES @ATOM 1 P1 0.1707 0.4880 0.0281 P 1 noname 0.0188 2 F1 8.8672 0.8327 -1.8680 F 1 noname -0.1922 3 F2 8.6770 -1.3976 -1.8242 F 1 noname -0.1922 4 F3 -2.9667 4.5700 7.2970 F 1 noname -0.1922 5 F4 -1.4060 3.3333 8.3203 F 1 noname -0.1922 6 F5 6.5486 -1.2505 -3.5828 F 1 noname -0.1922 7 F6 6.7389 0.9798 -3.6265 F 1 noname -0.1922 8 F7 0.4956 4.2598 6.5401 F 1 noname -0.1922 9 F8 -1.0651 5.4966 5.5168 F 1 noname -0.1922 10 F9 8.8277 -1.4646 -4.5841 F 1 noname -0.1922 11 F10 9.0179 0.7658 -4.6278 F 1 noname -0.1922 12 F11 0.1705 5.5827 8.6346 F 1 noname -0.1922 13 F12 -1.3901 6.8194 7.6112 F 1 noname -0.1922 14 F13 6.5882 1.0467 -0.8667 F 1 noname -0.1925 15 F14 6.3979 -1.1836 -0.8229 F 1 noname -0.1925 16 F15 -2.6416 3.2472 5.2025 F 1 noname -0.1925 17 F16 -1.0809 2.0104 6.2258 F 1 noname -0.1925 18 F17 10.9560 -1.6116 -2.8255 F 1 noname -0.1922 19 F18 11.1463 0.6187 -2.8692 F 1 noname -0.1922 20 F19 -1.7311 4.6561 10.4148 F 1 noname -0.1922 21 F20 -3.2917 5.8928 9.3915 F 1 noname -0.1922 22 F21 4.2696 -1.0365 -2.5815 F 1 noname -0.1995 23 F22 4.4598 1.1938 -2.6252 F 1 noname -0.1995 24 F23 -0.7400 4.1738 3.4223 F 1 noname -0.1995 25 F24 0.8207 2.9370 4.4456 F 1 noname -0.1995 26 F25 -1.7152 8.1422 9.7057 F 1 noname -0.1921 27 F26 11.2970 0.5517 -5.6291 F 1 noname -0.1921 28 F27 11.1067 -1.6786 -5.5853 F 1 noname -0.1921 29 F28 -0.1546 6.9055 10.7291 F 1 noname -0.1921 30 F29 13.4253 0.4047 -3.8705 F 1 noname -0.1889 31 F30 13.2351 -1.8256 -3.8268 F 1 noname -0.1889 32 F31 -3.6168 7.2156 11.4860 F 1 noname -0.1889 33 F32 -2.0562 5.9789 12.5093 F 1 noname -0.1889 34 F33 15.1367 -0.8991 -5.6070 F 1 noname -0.1647 35 F34 13.3858 -1.8926 -6.5866 F 1 noname -0.1647 36 F35 -2.5219 8.4201 13.7208 F 1 noname -0.1647 37 F36 -0.4797 8.2283 12.8235 F 1 noname -0.1647 38 F37 -2.0403 9.4650 11.8002 F 1 noname -0.1647 39 F38 13.5760 0.3377 -6.6304 F 1 noname -0.1647 40 O1 1.6741 0.3658 0.3386 O.3 1 noname -0.1534 41 O2 -0.6198 0.5813 1.3464 O.3 1 noname -0.1534 42 O3 -0.0789 1.7550 -0.8109 O.3 1 noname -0.1637 43 O4 -0.2625 -0.6698 -0.7105 O.2 1 noname -0.1955 44 C1 8.4548 -0.2696 -2.5711 C.3 1 noname 0.3844 45 C2 -1.6282 4.4613 7.5734 C.3 1 noname 0.3844 46 C3 6.9611 -0.1482 -2.8796 C.3 1 noname 0.3842 47 C4 -0.8428 4.3686 6.2637 C.3 1 noname 0.3842 48 C5 -1.1679 5.6914 8.3581 C.3 1 noname 0.3845 49 C6 9.2401 -0.3623 -3.8809 C.3 1 noname 0.3845 50 C7 6.1757 -0.0556 -1.5698 C.3 1 noname 0.3780 51 C8 -1.3031 3.1385 5.4789 C.3 1 noname 0.3780 52 C9 -1.9533 5.7841 9.6679 C.3 1 noname 0.3846 53 C10 10.7338 -0.4836 -3.5724 C.3 1 noname 0.3846 54 C11 4.6821 0.0658 -1.8783 C.3 1 noname 0.3186 55 C12 -0.5177 3.0458 4.1692 C.3 1 noname 0.3186 56 C13 -1.4930 7.0142 10.4526 C.3 1 noname 0.3873 57 C14 11.5192 -0.5763 -4.8822 C.3 1 noname 0.3873 58 C15 -0.9780 1.8156 3.3844 C.3 1 noname 0.0421 59 C16 3.8967 0.1585 -0.5686 C.3 1 noname 0.0421 60 C17 -2.2784 7.1069 11.7624 C.3 1 noname 0.4091 61 C18 13.0128 -0.6976 -4.5737 C.3 1 noname 0.4091 62 C19 -0.1926 1.7230 2.0747 C.3 1 noname 0.0684 63 C20 2.4030 0.2798 -0.8770 C.3 1 noname 0.0684 64 C21 -1.8181 8.3370 12.5471 C.3 1 noname 0.4597 65 C22 13.7982 -0.7903 -5.8835 C.3 1 noname 0.4597 66 H1 -2.0421 1.9021 3.1647 H 1 noname 0.0354 67 H2 -0.8014 0.9188 3.9783 H 1 noname 0.0354 68 H3 4.0733 -0.7383 0.0253 H 1 noname 0.0354 69 H4 4.2246 1.0348 -0.0095 H 1 noname 0.0354 70 H5 -0.3693 2.6198 1.4809 H 1 noname 0.0579 71 H6 0.8715 1.6365 2.2945 H 1 noname 0.0579 72 H7 2.0751 -0.5965 -1.4361 H 1 noname 0.0579 73 H8 2.2263 1.1766 -1.4709 H 1 noname 0.0579 74 H9 -1.0356 1.8328 -1.0085 H 1 noname 0.2283 @BOND 1 1 40 1 2 1 41 1 3 1 42 1 4 1 43 2 5 2 44 1 6 3 44 1 7 4 45 1 8 5 45 1 9 6 46 1 10 7 46 1 11 8 47 1 12 9 47 1 13 10 49 1 14 11 49 1 15 12 48 1 16 13 48 1 17 14 50 1 18 15 50 1 19 16 51 1 20 17 51 1 21 18 53 1 22 19 53 1 23 20 52 1 24 21 52 1 25 22 54 1 26 23 54 1 27 24 55 1 28 25 55 1 29 26 56 1 30 27 57 1 31 28 57 1 32 29 56 1 33 30 61 1 34 31 61 1 35 32 60 1 36 33 60 1 37 34 65 1 38 35 65 1 39 36 64 1 40 37 64 1 41 38 64 1 42 39 65 1 43 40 63 1 44 41 62 1 45 42 74 1 46 44 46 1 47 44 49 1 48 45 47 1 49 45 48 1 50 46 50 1 51 47 51 1 52 48 52 1 53 49 53 1 54 50 54 1 55 51 55 1 56 52 56 1 57 53 57 1 58 54 59 1 59 55 58 1 60 56 60 1 61 57 61 1 62 58 62 1 63 58 66 1 64 58 67 1 65 59 63 1 66 59 68 1 67 59 69 1 68 60 64 1 69 61 65 1 70 62 70 1 71 62 71 1 72 63 72 1 73 63 73 1 @SUBSTRUCTURE 1 noname 1