@MOLECULE 76963823 56 55 1 SMALL USER_CHARGES @ATOM 1 P1 -0.1052 -0.0366 -0.0029 P 1 noname 0.0188 2 F1 6.3609 -0.5116 0.5078 F 1 noname -0.1925 3 F2 -2.1359 6.0854 0.8303 F 1 noname -0.1925 4 F3 -3.7774 5.3099 -0.4797 F 1 noname -0.1925 5 F4 6.1924 0.1924 -1.6108 F 1 noname -0.1925 6 F5 6.5986 -2.3931 -2.5021 F 1 noname -0.1922 7 F6 6.7671 -3.0970 -0.3835 F 1 noname -0.1922 8 F7 -2.6186 6.5467 -2.6640 F 1 noname -0.1922 9 F8 -0.9771 7.3223 -1.3540 F 1 noname -0.1922 10 F9 -1.8982 4.2039 -2.1796 F 1 noname -0.1995 11 F10 -0.2567 4.9795 -0.8696 F 1 noname -0.1995 12 F11 4.4029 -2.4053 0.0344 F 1 noname -0.1995 13 F12 4.2344 -1.7013 -2.0842 F 1 noname -0.1995 14 F13 -2.8562 8.4283 0.3459 F 1 noname -0.1921 15 F14 -4.4977 7.6527 -0.9641 F 1 noname -0.1921 16 F15 8.7251 -1.2033 0.0899 F 1 noname -0.1921 17 F16 8.5566 -0.4994 -2.0287 F 1 noname -0.1921 18 F17 -1.6974 9.6652 -1.8384 F 1 noname -0.1889 19 F18 -3.3389 8.8896 -3.1485 F 1 noname -0.1889 20 F19 9.1313 -3.7888 -0.8014 F 1 noname -0.1889 21 F20 8.9627 -3.0848 -2.9200 F 1 noname -0.1889 22 F21 -3.7451 11.4750 -2.2571 F 1 noname -0.1647 23 F22 -5.2181 9.9955 -1.4486 F 1 noname -0.1647 24 F23 -3.5765 10.7711 -0.1385 F 1 noname -0.1647 25 F24 11.5662 -3.2905 -2.0125 F 1 noname -0.1647 26 F25 10.9207 -1.1911 -2.4466 F 1 noname -0.1647 27 F26 11.0892 -1.8951 -0.3280 F 1 noname -0.1647 28 O1 1.3644 0.4226 0.0328 O.3 1 noname -0.1534 29 O2 -1.0153 1.1189 0.4534 O.3 1 noname -0.1534 30 O3 -0.4795 -0.4486 -1.4388 O.3 1 noname -0.1637 31 O4 -0.2782 -1.1611 0.8797 O.2 1 noname -0.1955 32 C1 6.0277 -0.8783 -0.7705 C.3 1 noname 0.3780 33 C2 -2.4691 5.7187 -0.4480 C.3 1 noname 0.3780 34 C3 6.9318 -2.0263 -1.2238 C.3 1 noname 0.3843 35 C4 -2.2853 6.9135 -1.3857 C.3 1 noname 0.3843 36 C5 -1.5650 4.5707 -0.9013 C.3 1 noname 0.3186 37 C6 4.5677 -1.3346 -0.8059 C.3 1 noname 0.3186 38 C7 8.3918 -1.5701 -1.1884 C.3 1 noname 0.3873 39 C8 -3.1895 8.0615 -0.9324 C.3 1 noname 0.3873 40 C9 -1.7488 3.3758 0.0364 C.3 1 noname 0.0421 41 C10 3.6635 -0.1866 -0.3525 C.3 1 noname 0.0421 42 C11 -3.0056 9.2564 -1.8702 C.3 1 noname 0.4091 43 C12 9.2960 -2.7181 -1.6417 C.3 1 noname 0.4091 44 C13 -0.8446 2.2279 -0.4169 C.3 1 noname 0.0684 45 C14 2.2035 -0.6428 -0.3880 C.3 1 noname 0.0684 46 C15 -3.9098 10.4043 -1.4168 C.3 1 noname 0.4597 47 C16 10.7560 -2.2618 -1.6063 C.3 1 noname 0.4597 48 H1 3.7945 0.6647 -1.0206 H 1 noname 0.0354 49 H2 3.9285 0.1050 0.6637 H 1 noname 0.0354 50 H3 -2.7889 3.0508 0.0112 H 1 noname 0.0354 51 H4 -1.4838 3.6674 1.0527 H 1 noname 0.0354 52 H5 1.9386 -0.9344 -1.4043 H 1 noname 0.0579 53 H6 2.0726 -1.4940 0.2801 H 1 noname 0.0579 54 H7 -1.1096 1.9363 -1.4332 H 1 noname 0.0579 55 H8 0.1955 2.5529 -0.3917 H 1 noname 0.0579 56 H9 -1.4147 -0.7408 -1.4615 H 1 noname 0.2283 @BOND 1 1 28 1 2 1 29 1 3 1 30 1 4 1 31 2 5 2 32 1 6 3 33 1 7 4 33 1 8 5 32 1 9 6 34 1 10 7 34 1 11 8 35 1 12 9 35 1 13 10 36 1 14 11 36 1 15 12 37 1 16 13 37 1 17 14 39 1 18 15 39 1 19 16 38 1 20 17 38 1 21 18 42 1 22 19 42 1 23 20 43 1 24 21 43 1 25 22 46 1 26 23 46 1 27 24 46 1 28 25 47 1 29 26 47 1 30 27 47 1 31 28 45 1 32 29 44 1 33 30 56 1 34 32 34 1 35 32 37 1 36 33 35 1 37 33 36 1 38 34 38 1 39 35 39 1 40 36 40 1 41 37 41 1 42 38 43 1 43 39 42 1 44 40 44 1 45 40 50 1 46 40 51 1 47 41 45 1 48 41 48 1 49 41 49 1 50 42 46 1 51 43 47 1 52 44 54 1 53 44 55 1 54 45 52 1 55 45 53 1 @SUBSTRUCTURE 1 noname 1