@MOLECULE 70270274 70 73 1 SMALL USER_CHARGES @ATOM 1 F1 1.3270 -1.9082 -1.6468 F 1 noname -0.2392 2 O1 3.9527 -4.6962 -2.0779 O.3 1 noname -0.1960 3 O2 1.5880 -2.2124 1.9569 O.3 1 noname -0.3896 4 O3 5.6111 -5.1558 -0.0256 O.2 1 noname -0.2773 5 O4 5.6551 -7.9560 0.9926 O.3 1 noname -0.2023 6 O5 5.0302 -4.0037 -3.8956 O.2 1 noname -0.2532 7 O6 -3.3817 0.9607 -2.4709 O.2 1 noname -0.3034 8 O7 5.9827 -9.9179 2.0899 O.2 1 noname -0.2548 9 C1 2.5086 -4.6038 -0.0246 C.3 1 noname 0.0105 10 C2 1.1975 -4.5404 -0.8981 C.3 1 noname -0.0263 11 C3 0.1376 -3.5629 -0.2808 C.3 1 noname 0.0005 12 C4 0.7283 -2.0765 -0.3979 C.3 1 noname 0.1519 13 C5 3.4250 -5.4882 -0.9894 C.3 1 noname 0.1465 14 C6 0.9000 -5.9957 -1.2671 C.3 1 noname -0.0436 15 C7 3.0448 -3.1613 0.2837 C.3 1 noname -0.0149 16 C8 2.3181 -6.4890 -1.6372 C.3 1 noname -0.0062 17 C9 1.9731 -2.0533 0.5917 C.3 1 noname 0.0902 18 C10 -0.3916 -0.8925 -0.3324 C.3 1 noname 0.0442 19 C11 -1.3131 -3.7420 -0.7720 C.3 1 noname -0.0432 20 C12 2.2823 -5.2243 1.4260 C.3 1 noname -0.0560 21 C13 -2.1788 -2.7441 0.0152 C.3 1 noname -0.0302 22 C14 -1.7948 -1.4388 -0.4900 C.2 1 noname -0.0275 23 C15 4.6602 -5.9436 -0.2879 C.2 1 noname 0.1757 24 C16 2.1867 -8.0235 -1.4346 C.3 1 noname -0.0593 25 C17 -0.3664 -0.0894 1.0036 C.3 1 noname -0.0491 26 C18 -0.1627 0.1816 -1.3568 C.2 1 noname -0.0376 27 C19 -2.7562 -0.8070 -1.2058 C.2 1 noname 0.0223 28 C20 4.7122 -7.3291 0.1695 C.3 1 noname 0.1179 29 C21 -1.1479 0.7228 -2.1020 C.2 1 noname 0.0172 30 C22 4.6600 -4.9998 -3.2195 C.2 1 noname 0.1441 31 C23 -2.4542 0.3226 -1.9258 C.2 1 noname 0.0644 32 C24 4.8715 -6.3558 -3.8176 C.3 1 noname 0.0309 33 C25 5.7216 -7.4270 -3.0795 C.3 1 noname -0.0560 34 C26 5.7602 -9.3211 1.0179 C.2 1 noname 0.1405 35 C27 5.7246 -10.1788 -0.1862 C.3 1 noname 0.0220 36 H1 1.4037 -4.1511 -1.9035 H 1 noname 0.0313 37 H2 0.0569 -3.8434 0.7734 H 1 noname 0.0340 38 H3 0.2634 -6.0235 -2.1514 H 1 noname 0.0273 39 H4 0.5236 -6.5381 -0.3997 H 1 noname 0.0273 40 H5 3.6858 -2.8297 -0.5332 H 1 noname 0.0301 41 H6 3.7313 -3.2216 1.1281 H 1 noname 0.0301 42 H7 2.3598 -6.3995 -2.7244 H 1 noname 0.0334 43 H8 2.4930 -1.0969 0.5288 H 1 noname 0.0634 44 H9 -1.6457 -4.7580 -0.5596 H 1 noname 0.0274 45 H10 -1.3500 -3.5030 -1.8348 H 1 noname 0.0274 46 H11 3.2279 -5.2354 1.9680 H 1 noname 0.0237 47 H12 1.5581 -4.6190 1.9712 H 1 noname 0.0237 48 H13 1.9061 -6.2429 1.3309 H 1 noname 0.0237 49 H14 -3.2312 -2.9236 -0.2048 H 1 noname 0.0313 50 H15 -1.9400 -2.8793 1.0701 H 1 noname 0.0313 51 H16 1.3382 -8.3946 -2.0094 H 1 noname 0.0234 52 H17 2.0312 -8.2384 -0.3773 H 1 noname 0.0234 53 H18 3.0985 -8.5144 -1.7748 H 1 noname 0.0234 54 H19 -1.1366 0.6815 0.9787 H 1 noname 0.0244 55 H20 -0.5557 -0.7654 1.8375 H 1 noname 0.0244 56 H21 0.6107 0.3771 1.1287 H 1 noname 0.0244 57 H22 0.7637 0.5091 -1.5404 H 1 noname 0.0587 58 H23 2.3856 -2.1915 2.5259 H 1 noname 0.2105 59 H24 -3.6909 -1.1565 -1.2855 H 1 noname 0.0663 60 H25 3.7110 -7.6575 0.4484 H 1 noname 0.0657 61 H26 4.7716 -7.8869 -0.7651 H 1 noname 0.0657 62 H27 -0.9424 1.4119 -2.7868 H 1 noname 0.0660 63 H28 3.9086 -6.7844 -4.0957 H 1 noname 0.0369 64 H29 5.3953 -6.1741 -4.7561 H 1 noname 0.0369 65 H30 5.7544 -8.3389 -3.6757 H 1 noname 0.0236 66 H31 5.2724 -7.6427 -2.1101 H 1 noname 0.0236 67 H32 6.7344 -7.0508 -2.9350 H 1 noname 0.0236 68 H33 4.8875 -10.8730 -0.1132 H 1 noname 0.0336 69 H34 5.6039 -9.5559 -1.0725 H 1 noname 0.0336 70 H35 6.6564 -10.7396 -0.2604 H 1 noname 0.0336 @BOND 1 12 1 1 2 13 2 1 3 2 30 1 4 17 3 1 5 3 58 1 6 4 23 2 7 5 28 1 8 5 34 1 9 6 30 2 10 7 31 2 11 8 34 2 12 9 10 1 13 9 13 1 14 9 15 1 15 9 20 1 16 10 11 1 17 10 14 1 18 10 36 1 19 11 12 1 20 11 19 1 21 11 37 1 22 12 17 1 23 12 18 1 24 13 16 1 25 13 23 1 26 14 16 1 27 14 38 1 28 14 39 1 29 15 17 1 30 15 40 1 31 15 41 1 32 16 24 1 33 16 42 1 34 17 43 1 35 18 22 1 36 18 25 1 37 18 26 1 38 19 21 1 39 19 44 1 40 19 45 1 41 20 46 1 42 20 47 1 43 20 48 1 44 21 22 1 45 21 49 1 46 21 50 1 47 22 27 2 48 23 28 1 49 24 51 1 50 24 52 1 51 24 53 1 52 25 54 1 53 25 55 1 54 25 56 1 55 26 29 2 56 26 57 1 57 27 31 1 58 27 59 1 59 28 60 1 60 28 61 1 61 29 31 1 62 29 62 1 63 30 32 1 64 32 33 1 65 32 63 1 66 32 64 1 67 33 65 1 68 33 66 1 69 33 67 1 70 34 35 1 71 35 68 1 72 35 69 1 73 35 70 1 @SUBSTRUCTURE 1 noname 1