@MOLECULE 73425472 74 73 1 SMALL USER_CHARGES @ATOM 1 P1 -0.5197 -0.1791 -0.0046 P 1 noname 0.0188 2 F1 -2.5410 8.3115 -1.7841 F 1 noname -0.1922 3 F2 -0.4448 8.3507 -2.5697 F 1 noname -0.1922 4 F3 4.2218 -5.7507 -5.0859 F 1 noname -0.1922 5 F4 2.4959 -5.4909 -6.4880 F 1 noname -0.1922 6 F5 0.7424 -6.1292 -4.4479 F 1 noname -0.1922 7 F6 2.4684 -6.3890 -3.0458 F 1 noname -0.1922 8 F7 -0.9807 6.1189 -4.1109 F 1 noname -0.1922 9 F8 -3.0768 6.0797 -3.3254 F 1 noname -0.1922 10 F9 -1.4149 8.3451 -5.1586 F 1 noname -0.1922 11 F10 -3.5111 8.3059 -4.3731 F 1 noname -0.1922 12 F11 1.5898 -8.0218 -5.8416 F 1 noname -0.1922 13 F12 3.3157 -8.2816 -4.4395 F 1 noname -0.1922 14 F13 3.3744 -3.8581 -3.6922 F 1 noname -0.1925 15 F14 1.6485 -3.5983 -5.0943 F 1 noname -0.1925 16 F15 -2.1067 6.0853 -0.7364 F 1 noname -0.1925 17 F16 -0.0106 6.1245 -1.5220 F 1 noname -0.1925 18 F17 -0.8791 10.5770 -3.6173 F 1 noname -0.1922 19 F18 -2.9752 10.5378 -2.8318 F 1 noname -0.1922 20 F19 3.3432 -7.3835 -7.8817 F 1 noname -0.1922 21 F20 5.0692 -7.6433 -6.4796 F 1 noname -0.1922 22 F21 -2.6426 3.8534 -2.2777 F 1 noname -0.1995 23 F22 -0.5464 3.8926 -3.0633 F 1 noname -0.1995 24 F23 1.6210 -4.4964 -1.6521 F 1 noname -0.1995 25 F24 -0.1050 -4.2366 -3.0542 F 1 noname -0.1995 26 F25 -3.9453 10.5322 -5.4208 F 1 noname -0.1921 27 F26 -1.8492 10.5714 -6.2063 F 1 noname -0.1921 28 F27 4.1631 -10.1741 -5.8332 F 1 noname -0.1921 29 F28 2.4372 -9.9144 -7.2353 F 1 noname -0.1921 30 F29 -3.4095 12.7640 -3.8795 F 1 noname -0.1889 31 F30 5.9166 -9.5359 -7.8733 F 1 noname -0.1889 32 F31 4.1906 -9.2761 -9.2754 F 1 noname -0.1889 33 F32 -1.3133 12.8032 -4.6650 F 1 noname -0.1889 34 F33 -3.0428 14.4935 -6.0051 F 1 noname -0.1647 35 F34 -2.2835 12.7976 -7.2540 F 1 noname -0.1647 36 F35 -4.3796 12.7584 -6.4685 F 1 noname -0.1647 37 F36 5.3807 -11.7678 -9.4146 F 1 noname -0.1647 38 F37 3.2846 -11.8070 -8.6290 F 1 noname -0.1647 39 F38 5.0105 -12.0667 -7.2269 F 1 noname -0.1647 40 O1 0.3861 -0.5604 -1.1902 O.3 1 noname -0.1534 41 O2 -0.4668 1.3446 0.2126 O.3 1 noname -0.1534 42 O3 -1.9684 -0.6044 -0.3079 O.3 1 noname -0.1637 43 O4 -0.0615 -0.8497 1.1845 O.2 1 noname -0.1955 44 C1 -1.7346 7.9721 -2.8396 C.3 1 noname 0.3844 45 C2 2.9321 -6.1293 -5.3559 C.3 1 noname 0.3844 46 C3 2.0321 -5.7505 -4.1779 C.3 1 noname 0.3842 47 C4 -1.7871 6.4583 -3.0554 C.3 1 noname 0.3842 48 C5 -2.2214 8.6845 -4.1031 C.3 1 noname 0.3845 49 C6 2.8795 -7.6431 -5.5716 C.3 1 noname 0.3845 50 C7 2.0847 -4.2367 -3.9621 C.3 1 noname 0.3780 51 C8 -1.3003 5.7458 -1.7920 C.3 1 noname 0.3780 52 C9 -2.1688 10.1983 -3.8873 C.3 1 noname 0.3846 53 C10 3.7795 -8.0219 -6.7496 C.3 1 noname 0.3846 54 C11 1.1848 -3.8579 -2.7842 C.3 1 noname 0.3186 55 C12 -1.3528 4.2320 -2.0077 C.3 1 noname 0.3186 56 C13 -2.6556 10.9108 -5.1508 C.3 1 noname 0.3873 57 C14 3.7269 -9.5357 -6.9653 C.3 1 noname 0.3873 58 C15 1.2373 -2.3442 -2.5684 C.3 1 noname 0.0421 59 C16 -0.8660 3.5196 -0.7443 C.3 1 noname 0.0421 60 C17 -2.6031 12.4246 -4.9350 C.3 1 noname 0.4091 61 C18 4.6268 -9.9145 -8.1433 C.3 1 noname 0.4091 62 C19 -0.9186 2.0058 -0.9601 C.3 1 noname 0.0684 63 C20 0.3374 -1.9654 -1.3905 C.3 1 noname 0.0684 64 C21 -3.0899 13.1370 -6.1985 C.3 1 noname 0.4597 65 C22 4.5743 -11.4283 -8.3590 C.3 1 noname 0.4597 66 H1 0.8905 -1.8366 -3.4686 H 1 noname 0.0354 67 H2 -1.5072 3.7895 0.0949 H 1 noname 0.0354 68 H3 0.1593 3.8206 -0.5296 H 1 noname 0.0354 69 H4 2.2627 -2.0431 -2.3538 H 1 noname 0.0354 70 H5 -0.6880 -2.2664 -1.6052 H 1 noname 0.0579 71 H6 0.6842 -2.4729 -0.4904 H 1 noname 0.0579 72 H7 -1.9440 1.7048 -1.1747 H 1 noname 0.0579 73 H8 -0.2775 1.7359 -1.7992 H 1 noname 0.0579 74 H9 -2.5448 -0.3618 0.4466 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 48 1 14 11 48 1 15 12 49 1 16 13 49 1 17 14 50 1 18 15 50 1 19 16 51 1 20 17 51 1 21 18 52 1 22 19 52 1 23 20 53 1 24 21 53 1 25 22 55 1 26 23 55 1 27 24 54 1 28 25 54 1 29 26 56 1 30 27 56 1 31 28 57 1 32 29 57 1 33 30 60 1 34 31 61 1 35 32 61 1 36 33 60 1 37 34 64 1 38 35 64 1 39 36 64 1 40 37 65 1 41 38 65 1 42 39 65 1 43 40 63 1 44 41 62 1 45 42 74 1 46 44 47 1 47 44 48 1 48 45 46 1 49 45 49 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 58 1 59 55 59 1 60 56 60 1 61 57 61 1 62 58 63 1 63 58 66 1 64 58 69 1 65 59 62 1 66 59 67 1 67 59 68 1 68 60 64 1 69 61 65 1 70 62 72 1 71 62 73 1 72 63 70 1 73 63 71 1 @SUBSTRUCTURE 1 noname 1