@MOLECULE 76967284 62 61 1 SMALL USER_CHARGES @ATOM 1 P1 -0.0982 -0.0457 -0.2328 P 1 noname 0.0188 2 F1 6.7229 -3.1876 -0.8156 F 1 noname -0.1922 3 F2 6.6853 -2.1079 -2.7765 F 1 noname -0.1922 4 F3 -2.3309 6.9810 -1.7754 F 1 noname -0.1922 5 F4 -0.7491 7.4586 -0.2647 F 1 noname -0.1922 6 F5 -2.0507 5.8820 1.5966 F 1 noname -0.1925 7 F6 6.2817 0.2848 -1.4513 F 1 noname -0.1925 8 F7 6.3193 -0.7949 0.5096 F 1 noname -0.1925 9 F8 -3.6325 5.4044 0.0859 F 1 noname -0.1925 10 F9 8.6512 -0.3892 -1.8679 F 1 noname -0.1922 11 F10 8.6888 -1.4689 0.0930 F 1 noname -0.1922 12 F11 -2.6969 8.2940 1.5107 F 1 noname -0.1922 13 F12 -4.2788 7.8164 0.0001 F 1 noname -0.1922 14 F13 4.3534 -2.5136 -0.3990 F 1 noname -0.1995 15 F14 4.3158 -1.4339 -2.3599 F 1 noname -0.1995 16 F15 -1.6847 4.5691 -1.6895 F 1 noname -0.1995 17 F16 -0.1029 5.0467 -0.1788 F 1 noname -0.1995 18 F17 9.0548 -2.7819 -3.1931 F 1 noname -0.1921 19 F18 -1.3954 9.8705 -0.3505 F 1 noname -0.1921 20 F19 -2.9772 9.3929 -1.8612 F 1 noname -0.1921 21 F20 9.0924 -3.8616 -1.2322 F 1 noname -0.1921 22 F21 -4.9250 10.2283 -0.0858 F 1 noname -0.1889 23 F22 -3.3432 10.7059 1.4249 F 1 noname -0.1889 24 F23 11.0583 -2.1430 -0.3236 F 1 noname -0.1889 25 F24 11.0207 -1.0633 -2.2845 F 1 noname -0.1889 26 F25 -4.1649 12.8864 -0.0631 F 1 noname -0.1647 27 F26 -2.0416 12.2824 -0.4364 F 1 noname -0.1647 28 F27 -3.6234 11.8049 -1.9471 F 1 noname -0.1647 29 F28 13.0061 -2.9784 -2.0990 F 1 noname -0.1647 30 F29 11.4243 -3.4559 -3.6097 F 1 noname -0.1647 31 F30 11.4619 -4.5357 -1.6488 F 1 noname -0.1647 32 O1 1.3759 0.3561 -0.0398 O.3 1 noname -0.1534 33 O2 -1.0091 1.0346 0.3795 O.3 1 noname -0.1534 34 O3 -0.4009 -0.1803 -1.7367 O.3 1 noname -0.1637 35 O4 -0.3418 -1.3056 0.4205 O.2 1 noname -0.1955 36 C1 6.9548 -1.9880 -1.4376 C.3 1 noname 0.3842 37 C2 -2.0614 7.1009 -0.4365 C.3 1 noname 0.3842 38 C3 6.0498 -0.9148 -0.8293 C.3 1 noname 0.3780 39 C4 -2.3202 5.7622 0.2577 C.3 1 noname 0.3780 40 C5 8.4193 -1.5888 -1.2459 C.3 1 noname 0.3846 41 C6 -2.9664 8.1741 0.1718 C.3 1 noname 0.3846 42 C7 4.5853 -1.3140 -1.0210 C.3 1 noname 0.3186 43 C8 -1.4152 4.6889 -0.3506 C.3 1 noname 0.3186 44 C9 9.3243 -2.6621 -1.8542 C.3 1 noname 0.3873 45 C10 -2.7077 9.5128 -0.5223 C.3 1 noname 0.3873 46 C11 -1.6740 3.3502 0.3436 C.3 1 noname 0.0421 47 C12 3.6803 -0.2408 -0.4127 C.3 1 noname 0.0421 48 C13 10.7888 -2.2628 -1.6625 C.3 1 noname 0.4091 49 C14 -3.6127 10.5860 0.0860 C.3 1 noname 0.4091 50 C15 -0.7690 2.2770 -0.2648 C.3 1 noname 0.0684 51 C16 2.2158 -0.6400 -0.6044 C.3 1 noname 0.0684 52 C17 -3.3539 11.9247 -0.6082 C.3 1 noname 0.4597 53 C18 11.6938 -3.3361 -2.2708 C.3 1 noname 0.4597 54 H1 3.8646 0.7130 -0.9072 H 1 noname 0.0354 55 H2 3.8945 -0.1455 0.6518 H 1 noname 0.0354 56 H3 -2.7173 3.0658 0.2070 H 1 noname 0.0354 57 H4 -1.4597 3.4455 1.4080 H 1 noname 0.0354 58 H5 -0.9832 2.1817 -1.3292 H 1 noname 0.0579 59 H6 0.2744 2.5614 -0.1282 H 1 noname 0.0579 60 H7 2.0015 -0.7353 -1.6689 H 1 noname 0.0579 61 H8 2.0314 -1.5937 -0.1099 H 1 noname 0.0579 62 H9 -1.3390 -0.4360 -1.8595 H 1 noname 0.2283 @BOND 1 1 32 1 2 1 33 1 3 1 34 1 4 1 35 2 5 2 36 1 6 3 36 1 7 4 37 1 8 5 37 1 9 6 39 1 10 7 38 1 11 8 38 1 12 9 39 1 13 10 40 1 14 11 40 1 15 12 41 1 16 13 41 1 17 14 42 1 18 15 42 1 19 16 43 1 20 17 43 1 21 18 44 1 22 19 45 1 23 20 45 1 24 21 44 1 25 22 49 1 26 23 49 1 27 24 48 1 28 25 48 1 29 26 52 1 30 27 52 1 31 28 52 1 32 29 53 1 33 30 53 1 34 31 53 1 35 32 51 1 36 33 50 1 37 34 62 1 38 36 38 1 39 36 40 1 40 37 39 1 41 37 41 1 42 38 42 1 43 39 43 1 44 40 44 1 45 41 45 1 46 42 47 1 47 43 46 1 48 44 48 1 49 45 49 1 50 46 50 1 51 46 56 1 52 46 57 1 53 47 51 1 54 47 54 1 55 47 55 1 56 48 53 1 57 49 52 1 58 50 58 1 59 50 59 1 60 51 60 1 61 51 61 1 @SUBSTRUCTURE 1 noname 1