@MOLECULE 73425501 86 85 1 SMALL USER_CHARGES @ATOM 1 P1 0.0522 0.2992 0.9384 P 1 noname 0.0188 2 F1 -3.6999 7.8649 -4.4197 F 1 noname -0.1922 3 F2 -3.5900 8.9664 -2.4737 F 1 noname -0.1922 4 F3 9.3947 1.1316 4.4098 F 1 noname -0.1922 5 F4 8.5197 0.2248 6.2603 F 1 noname -0.1922 6 F5 6.7435 2.3347 6.4543 F 1 noname -0.1922 7 F6 7.6186 3.2415 4.6038 F 1 noname -0.1922 8 F7 -5.2559 7.0877 -1.3163 F 1 noname -0.1922 9 F8 -5.3658 5.9863 -3.2623 F 1 noname -0.1922 10 F9 8.9380 2.5956 7.6199 F 1 noname -0.1922 11 F10 -6.3511 9.0680 -2.3752 F 1 noname -0.1922 12 F11 9.8131 3.5024 5.7694 F 1 noname -0.1922 13 F12 -6.4611 7.9665 -4.3213 F 1 noname -0.1922 14 F13 7.2003 0.8707 3.2442 F 1 noname -0.1922 15 F14 6.3252 -0.0361 5.0948 F 1 noname -0.1922 16 F15 -2.6046 5.8847 -3.3608 F 1 noname -0.1922 17 F16 -2.4947 6.9861 -1.4147 F 1 noname -0.1922 18 F17 -4.6853 10.9466 -3.5326 F 1 noname -0.1922 19 F18 -4.7952 9.8452 -5.4787 F 1 noname -0.1922 20 F19 10.7142 0.4857 7.4259 F 1 noname -0.1922 21 F20 11.5892 1.3925 5.5754 F 1 noname -0.1922 22 F21 5.4241 2.9806 3.4382 F 1 noname -0.1925 23 F22 -4.2705 4.0060 -2.2034 F 1 noname -0.1925 24 F23 -4.1606 5.1075 -0.2573 F 1 noname -0.1925 25 F24 4.5490 2.0738 5.2887 F 1 noname -0.1925 26 F25 -7.5563 9.9468 -5.3802 F 1 noname -0.1922 27 F26 -7.4464 11.0482 -3.4342 F 1 noname -0.1922 28 F27 12.0076 3.7633 6.9349 F 1 noname -0.1922 29 F28 11.1325 2.8565 8.7854 F 1 noname -0.1922 30 F29 4.1307 -0.2970 3.9292 F 1 noname -0.1995 31 F30 5.0058 0.6098 2.0787 F 1 noname -0.1995 32 F31 -1.3994 5.0059 -0.3558 F 1 noname -0.1995 33 F32 -1.5094 3.9044 -2.3018 F 1 noname -0.1995 34 F33 -5.8905 11.8254 -6.5376 F 1 noname -0.1921 35 F34 13.7837 1.6534 6.7410 F 1 noname -0.1921 36 F35 12.9087 0.7466 8.5915 F 1 noname -0.1921 37 F36 -5.7806 12.9269 -4.5916 F 1 noname -0.1921 38 F37 -8.5417 13.0285 -4.4931 F 1 noname -0.1889 39 F38 -8.6516 11.9270 -6.4392 F 1 noname -0.1889 40 F39 13.3270 3.1174 9.9510 F 1 noname -0.1889 41 F40 14.2020 4.0242 8.1005 F 1 noname -0.1889 42 F41 -8.8423 14.6733 -6.6950 F 1 noname -0.1647 43 F42 -6.9858 13.8057 -7.5966 F 1 noname -0.1647 44 F43 -6.8758 14.9071 -5.6505 F 1 noname -0.1647 45 F44 16.0881 3.0158 9.8526 F 1 noname -0.1647 46 F45 15.9782 1.9143 7.9065 F 1 noname -0.1647 47 F46 15.1032 1.0075 9.7570 F 1 noname -0.1647 48 O1 0.9118 1.2381 1.8050 O.3 1 noname -0.1534 49 O2 -1.2970 0.9755 0.6318 O.3 1 noname -0.1534 50 O3 0.7884 0.0008 -0.3810 O.3 1 noname -0.1637 51 O4 -0.1785 -0.9322 1.6483 O.2 1 noname -0.1955 52 C1 -4.3553 8.1305 -3.2452 C.3 1 noname 0.3845 53 C2 8.7393 1.3972 5.5844 C.3 1 noname 0.3845 54 C3 -4.6005 6.8221 -2.4908 C.3 1 noname 0.3844 55 C4 7.3989 2.0691 5.2798 C.3 1 noname 0.3844 56 C5 -5.6957 8.8024 -3.5498 C.3 1 noname 0.3845 57 C6 9.5934 2.3300 6.4453 C.3 1 noname 0.3845 58 C7 6.5448 1.1363 4.4188 C.3 1 noname 0.3842 59 C8 -3.2601 6.1502 -2.1862 C.3 1 noname 0.3842 60 C9 10.9338 1.6581 6.7499 C.3 1 noname 0.3845 61 C10 -5.4506 10.1107 -4.3041 C.3 1 noname 0.3845 62 C11 5.2045 1.8082 4.1142 C.3 1 noname 0.3780 63 C12 -3.5052 4.8419 -1.4319 C.3 1 noname 0.3780 64 C13 11.7879 2.5909 7.6109 C.3 1 noname 0.3846 65 C14 -6.7910 10.7827 -4.6087 C.3 1 noname 0.3846 66 C15 4.3504 0.8754 3.2532 C.3 1 noname 0.3186 67 C16 -2.1648 4.1700 -1.1273 C.3 1 noname 0.3186 68 C17 13.1283 1.9190 7.9155 C.3 1 noname 0.3873 69 C18 -6.5459 12.0910 -5.3631 C.3 1 noname 0.3873 70 C19 3.0100 1.5473 2.9486 C.3 1 noname 0.0421 71 C20 -2.4099 2.8616 -0.3729 C.3 1 noname 0.0421 72 C21 13.9824 2.8518 8.7765 C.3 1 noname 0.4091 73 C22 -7.8863 12.7629 -5.6677 C.3 1 noname 0.4091 74 C23 -1.0695 2.1897 -0.0684 C.3 1 noname 0.0684 75 C24 2.1559 0.6145 2.0876 C.3 1 noname 0.0684 76 C25 15.3228 2.1799 9.0811 C.3 1 noname 0.4597 77 C26 -7.6412 14.0712 -6.4220 C.3 1 noname 0.4597 78 H1 2.4889 1.7584 3.8824 H 1 noname 0.0354 79 H2 -3.0184 2.1971 -0.9863 H 1 noname 0.0354 80 H3 -2.9310 3.0728 0.5609 H 1 noname 0.0354 81 H4 3.1846 2.4794 2.4112 H 1 noname 0.0354 82 H5 1.9812 -0.3176 2.6251 H 1 noname 0.0579 83 H6 2.6770 0.4033 1.1538 H 1 noname 0.0579 84 H7 -0.5484 1.9786 -1.0022 H 1 noname 0.0579 85 H8 -0.4610 2.8543 0.5450 H 1 noname 0.0579 86 H9 0.2413 -0.5966 -0.9325 H 1 noname 0.2283 @BOND 1 1 48 1 2 1 49 1 3 1 50 1 4 1 51 2 5 2 52 1 6 3 52 1 7 4 53 1 8 5 53 1 9 6 55 1 10 7 55 1 11 8 54 1 12 9 54 1 13 10 57 1 14 11 56 1 15 12 57 1 16 13 56 1 17 14 58 1 18 15 58 1 19 16 59 1 20 17 59 1 21 18 61 1 22 19 61 1 23 20 60 1 24 21 60 1 25 22 62 1 26 23 63 1 27 24 63 1 28 25 62 1 29 26 65 1 30 27 65 1 31 28 64 1 32 29 64 1 33 30 66 1 34 31 66 1 35 32 67 1 36 33 67 1 37 34 69 1 38 35 68 1 39 36 68 1 40 37 69 1 41 38 73 1 42 39 73 1 43 40 72 1 44 41 72 1 45 42 77 1 46 43 77 1 47 44 77 1 48 45 76 1 49 46 76 1 50 47 76 1 51 48 75 1 52 49 74 1 53 50 86 1 54 52 54 1 55 52 56 1 56 53 55 1 57 53 57 1 58 54 59 1 59 55 58 1 60 56 61 1 61 57 60 1 62 58 62 1 63 59 63 1 64 60 64 1 65 61 65 1 66 62 66 1 67 63 67 1 68 64 68 1 69 65 69 1 70 66 70 1 71 67 71 1 72 68 72 1 73 69 73 1 74 70 75 1 75 70 78 1 76 70 81 1 77 71 74 1 78 71 79 1 79 71 80 1 80 72 76 1 81 73 77 1 82 74 84 1 83 74 85 1 84 75 82 1 85 75 83 1 @SUBSTRUCTURE 1 noname 1