@MOLECULE 76957703 80 79 1 SMALL USER_CHARGES @ATOM 1 P1 -0.3917 -0.1052 0.2454 P 1 noname 0.0188 2 F1 -0.1374 8.7752 -0.4012 F 1 noname -0.1922 3 F2 -1.2950 8.3894 -2.2784 F 1 noname -0.1922 4 F3 5.0695 -4.5055 -5.2460 F 1 noname -0.1922 5 F4 3.4043 -6.0019 -5.2467 F 1 noname -0.1922 6 F5 2.6845 -5.1997 -7.7927 F 1 noname -0.1922 7 F6 4.3497 -3.7033 -7.7920 F 1 noname -0.1922 8 F7 -3.6006 9.2799 -1.0395 F 1 noname -0.1922 9 F8 -2.4430 9.6657 0.8376 F 1 noname -0.1922 10 F9 -3.0890 6.8415 -0.8539 F 1 noname -0.1922 11 F10 -1.9314 7.2272 1.0232 F 1 noname -0.1922 12 F11 1.6063 -4.0007 -5.8842 F 1 noname -0.1922 13 F12 3.2716 -2.5043 -5.8835 F 1 noname -0.1922 14 F13 6.1477 -5.7045 -7.1545 F 1 noname -0.1922 15 F14 4.4825 -7.2009 -7.1552 F 1 noname -0.1922 16 F15 -0.6490 11.2137 -0.5868 F 1 noname -0.1922 17 F16 -1.8066 10.8279 -2.4639 F 1 noname -0.1922 18 F17 -0.7833 5.9510 -2.0928 F 1 noname -0.1925 19 F18 0.3743 6.3367 -0.2157 F 1 noname -0.1925 20 F19 2.3261 -4.8029 -3.3382 F 1 noname -0.1925 21 F20 3.9914 -3.3065 -3.3375 F 1 noname -0.1925 22 F21 -2.9547 12.1042 0.6521 F 1 noname -0.1922 23 F22 -4.1123 11.7184 -1.2250 F 1 noname -0.1922 24 F23 5.4279 -4.9023 -9.7005 F 1 noname -0.1922 25 F24 3.7626 -6.3987 -9.7012 F 1 noname -0.1922 26 F25 -1.4198 4.7887 1.2088 F 1 noname -0.1995 27 F26 -2.5774 4.4030 -0.6683 F 1 noname -0.1995 28 F27 2.1934 -1.3053 -3.9751 F 1 noname -0.1995 29 F28 0.5281 -2.8017 -3.9757 F 1 noname -0.1995 30 F29 -2.3182 13.2664 -2.6495 F 1 noname -0.1921 31 F30 -1.1606 13.6521 -0.7724 F 1 noname -0.1921 32 F31 5.5606 -8.3999 -9.0636 F 1 noname -0.1921 33 F32 7.2259 -6.9035 -9.0630 F 1 noname -0.1921 34 F33 4.8408 -7.5977 -11.6097 F 1 noname -0.1889 35 F34 6.5061 -6.1013 -11.6090 F 1 noname -0.1889 36 F35 -4.6239 14.1569 -1.4106 F 1 noname -0.1889 37 F36 -3.4663 14.5426 0.4665 F 1 noname -0.1889 38 F37 -3.7960 16.7793 -1.1249 F 1 noname -0.1647 39 F38 -1.6723 16.0906 -0.9580 F 1 noname -0.1647 40 F39 -2.8299 15.7049 -2.8351 F 1 noname -0.1647 41 F40 7.1465 -8.4882 -12.8486 F 1 noname -0.1647 42 F41 8.3041 -8.1025 -10.9715 F 1 noname -0.1647 43 F42 6.6388 -9.5989 -10.9721 F 1 noname -0.1647 44 O1 0.6047 -1.2139 -0.1413 O.3 1 noname -0.1534 45 O2 0.0897 1.2406 -0.3281 O.3 1 noname -0.1534 46 O3 -1.7808 -0.4403 -0.3288 O.3 1 noname -0.1637 47 O4 -0.4748 -0.0134 1.6800 O.2 1 noname -0.1955 48 C1 -1.3740 8.4768 -0.9124 C.3 1 noname 0.3844 49 C2 3.8329 -4.8038 -5.7572 C.3 1 noname 0.3844 50 C3 -2.3640 9.5783 -0.5283 C.3 1 noname 0.3845 51 C4 3.9211 -4.9013 -7.2815 C.3 1 noname 0.3845 52 C5 2.8429 -3.7023 -5.3730 C.3 1 noname 0.3842 53 C6 -1.8523 7.1398 -0.3427 C.3 1 noname 0.3842 54 C7 -1.8857 10.9153 -1.0980 C.3 1 noname 0.3845 55 C8 4.9111 -6.0028 -7.6657 C.3 1 noname 0.3845 56 C9 2.7547 -3.6048 -3.8487 C.3 1 noname 0.3780 57 C10 -0.8624 6.0383 -0.7269 C.3 1 noname 0.3780 58 C11 -2.8756 12.0168 -0.7139 C.3 1 noname 0.3846 59 C12 4.9993 -6.1003 -9.1900 C.3 1 noname 0.3846 60 C13 1.7647 -2.5033 -3.4645 C.3 1 noname 0.3186 61 C14 -1.3407 4.7013 -0.1571 C.3 1 noname 0.3186 62 C15 -2.3973 13.3538 -1.2836 C.3 1 noname 0.3873 63 C16 5.9893 -7.2018 -9.5742 C.3 1 noname 0.3873 64 C17 -0.3507 3.5998 -0.5413 C.3 1 noname 0.0421 65 C18 1.6765 -2.4059 -1.9402 C.3 1 noname 0.0421 66 C19 -3.3872 14.4553 -0.8994 C.3 1 noname 0.4091 67 C20 6.0775 -7.2993 -11.0985 C.3 1 noname 0.4091 68 C21 0.6866 -1.3043 -1.5561 C.3 1 noname 0.0684 69 C22 -0.8291 2.2629 0.0284 C.3 1 noname 0.0684 70 C23 -2.9089 15.7923 -1.4692 C.3 1 noname 0.4597 71 C24 7.0674 -8.4008 -11.4826 C.3 1 noname 0.4597 72 H1 -0.2879 3.5304 -1.6273 H 1 noname 0.0354 73 H2 0.6324 3.8371 -0.1349 H 1 noname 0.0354 74 H3 1.3358 -3.3583 -1.5343 H 1 noname 0.0354 75 H4 2.6597 -2.1686 -1.5338 H 1 noname 0.0354 76 H5 -1.8123 2.0256 -0.3780 H 1 noname 0.0579 77 H6 -0.8919 2.3323 1.1144 H 1 noname 0.0579 78 H7 -0.2966 -1.5416 -1.9625 H 1 noname 0.0579 79 H8 1.0273 -0.3519 -1.9619 H 1 noname 0.0579 80 H9 -2.0872 -1.2967 0.0361 H 1 noname 0.2283 @BOND 1 1 44 1 2 1 45 1 3 1 46 1 4 1 47 2 5 2 48 1 6 3 48 1 7 4 49 1 8 5 49 1 9 6 51 1 10 7 51 1 11 8 50 1 12 9 50 1 13 10 53 1 14 11 53 1 15 12 52 1 16 13 52 1 17 14 55 1 18 15 55 1 19 16 54 1 20 17 54 1 21 18 57 1 22 19 57 1 23 20 56 1 24 21 56 1 25 22 58 1 26 23 58 1 27 24 59 1 28 25 59 1 29 26 61 1 30 27 61 1 31 28 60 1 32 29 60 1 33 30 62 1 34 31 62 1 35 32 63 1 36 33 63 1 37 34 67 1 38 35 67 1 39 36 66 1 40 37 66 1 41 38 70 1 42 39 70 1 43 40 70 1 44 41 71 1 45 42 71 1 46 43 71 1 47 44 68 1 48 45 69 1 49 46 80 1 50 48 50 1 51 48 53 1 52 49 51 1 53 49 52 1 54 50 54 1 55 51 55 1 56 52 56 1 57 53 57 1 58 54 58 1 59 55 59 1 60 56 60 1 61 57 61 1 62 58 62 1 63 59 63 1 64 60 65 1 65 61 64 1 66 62 66 1 67 63 67 1 68 64 69 1 69 64 72 1 70 64 73 1 71 65 68 1 72 65 74 1 73 65 75 1 74 66 70 1 75 67 71 1 76 68 78 1 77 68 79 1 78 69 76 1 79 69 77 1 @SUBSTRUCTURE 1 noname 1