@MOLECULE 71315526 66 71 1 SMALL USER_CHARGES @ATOM 1 F1 1.5101 -2.1397 -1.6116 F 1 noname -0.2392 2 O1 4.0113 -4.9152 -1.6357 O.3 1 noname -0.3321 3 O2 2.6835 -6.6777 -2.4833 O.3 1 noname -0.3430 4 O3 1.5377 -1.9857 1.9954 O.3 1 noname -0.3896 5 O4 5.6273 -5.3592 0.5528 O.2 1 noname -0.2770 6 O5 4.1338 -8.5661 0.1445 O.3 1 noname -0.3883 7 O6 -3.1208 0.5467 -3.1642 O.2 1 noname -0.3034 8 C1 2.5670 -4.5853 0.3762 C.3 1 noname 0.0124 9 C2 1.2727 -4.6193 -0.5184 C.3 1 noname -0.0240 10 C3 3.4615 -5.6096 -0.4661 C.3 1 noname 0.1637 11 C4 0.1912 -3.5870 -0.1274 C.3 1 noname 0.0006 12 C5 2.3975 -6.5933 -1.0912 C.3 1 noname 0.0982 13 C6 0.8098 -2.1337 -0.4003 C.3 1 noname 0.1519 14 C7 0.9656 -6.0911 -0.7802 C.3 1 noname -0.0194 15 C8 3.0986 -3.1237 0.5281 C.3 1 noname -0.0148 16 C9 2.0039 -2.0022 0.6459 C.3 1 noname 0.0902 17 C10 -0.3022 -0.9512 -0.5664 C.3 1 noname 0.0442 18 C11 -1.2061 -3.8147 -0.7543 C.3 1 noname -0.0432 19 C12 2.3553 -5.0529 1.8611 C.3 1 noname -0.0559 20 C13 3.5762 -5.5932 -2.8202 C.3 1 noname 0.1701 21 C14 4.7161 -6.1497 0.2114 C.2 1 noname 0.1763 22 C15 -2.1005 -2.7427 -0.1092 C.3 1 noname -0.0302 23 C16 -1.7002 -1.5095 -0.7399 C.2 1 noname -0.0275 24 C17 2.9114 -4.6394 -3.8238 C.3 1 noname 0.0015 25 C18 4.7284 -6.1355 -3.6714 C.3 1 noname 0.0015 26 C19 -0.3063 0.0478 0.6306 C.3 1 noname -0.0491 27 C20 0.0005 -0.0571 -1.7215 C.2 1 noname -0.0376 28 C21 2.9289 -5.3745 -5.1679 C.3 1 noname -0.0480 29 C22 4.1561 -6.2916 -5.0918 C.3 1 noname -0.0480 30 C23 5.0492 -7.5696 0.5034 C.3 1 noname 0.1049 31 C24 -2.6119 -1.0061 -1.6081 C.2 1 noname 0.0223 32 C25 -0.9125 0.3368 -2.6291 C.2 1 noname 0.0172 33 C26 -2.2401 -0.0109 -2.4781 C.2 1 noname 0.0644 34 H1 1.4658 -4.3540 -1.5505 H 1 noname 0.0314 35 H2 0.0172 -3.7478 0.9389 H 1 noname 0.0340 36 H3 2.3478 -7.6010 -0.6780 H 1 noname 0.0640 37 H4 0.3474 -6.1799 -1.6735 H 1 noname 0.0297 38 H5 0.5758 -6.5694 0.1183 H 1 noname 0.0297 39 H6 3.7692 -3.0683 1.3856 H 1 noname 0.0301 40 H7 3.6339 -2.9114 -0.3973 H 1 noname 0.0301 41 H8 2.5239 -1.0573 0.4953 H 1 noname 0.0634 42 H9 -1.5704 -4.8048 -0.4802 H 1 noname 0.0274 43 H10 -1.1400 -3.6745 -1.8332 H 1 noname 0.0274 44 H11 3.3017 -4.9950 2.3987 H 1 noname 0.0237 45 H12 1.6227 -4.4068 2.3446 H 1 noname 0.0237 46 H13 1.9946 -6.0815 1.8701 H 1 noname 0.0237 47 H14 -3.1442 -2.9497 -0.3458 H 1 noname 0.0313 48 H15 -1.8981 -2.7605 0.9617 H 1 noname 0.0313 49 H16 1.8798 -4.4568 -3.5229 H 1 noname 0.0321 50 H17 3.5157 -3.7360 -3.9067 H 1 noname 0.0321 51 H18 5.0319 -7.1115 -3.2926 H 1 noname 0.0321 52 H19 5.5311 -5.3983 -3.6919 H 1 noname 0.0321 53 H20 -1.0660 0.8115 0.4639 H 1 noname 0.0244 54 H21 -0.5282 -0.4903 1.5522 H 1 noname 0.0244 55 H22 0.6724 0.5207 0.7126 H 1 noname 0.0244 56 H23 0.9319 0.2463 -1.8724 H 1 noname 0.0587 57 H24 2.3016 -1.9039 2.6039 H 1 noname 0.2105 58 H25 3.8474 -7.3253 -5.2476 H 1 noname 0.0268 59 H26 4.9273 -6.0108 -5.8091 H 1 noname 0.0268 60 H27 2.0278 -5.9804 -5.2623 H 1 noname 0.0268 61 H28 2.9959 -4.6419 -5.9722 H 1 noname 0.0268 62 H29 5.3044 -7.6734 1.5580 H 1 noname 0.0647 63 H30 6.0008 -7.7673 0.0099 H 1 noname 0.0647 64 H31 -3.5414 -1.3753 -1.7146 H 1 noname 0.0663 65 H32 -0.6270 0.8801 -3.4092 H 1 noname 0.0660 66 H33 4.4895 -9.4432 0.3984 H 1 noname 0.2106 @BOND 1 13 1 1 2 2 10 1 3 2 20 1 4 3 12 1 5 3 20 1 6 16 4 1 7 4 57 1 8 5 21 2 9 6 30 1 10 6 66 1 11 7 33 2 12 8 9 1 13 8 10 1 14 8 15 1 15 8 19 1 16 9 11 1 17 9 14 1 18 9 34 1 19 10 12 1 20 10 21 1 21 11 13 1 22 11 18 1 23 11 35 1 24 12 14 1 25 12 36 1 26 13 16 1 27 13 17 1 28 14 37 1 29 14 38 1 30 15 16 1 31 15 39 1 32 15 40 1 33 16 41 1 34 17 23 1 35 17 26 1 36 17 27 1 37 18 22 1 38 18 42 1 39 18 43 1 40 19 44 1 41 19 45 1 42 19 46 1 43 20 24 1 44 20 25 1 45 21 30 1 46 22 23 1 47 22 47 1 48 22 48 1 49 23 31 2 50 24 28 1 51 24 49 1 52 24 50 1 53 25 29 1 54 25 51 1 55 25 52 1 56 26 53 1 57 26 54 1 58 26 55 1 59 27 32 2 60 27 56 1 61 28 29 1 62 28 60 1 63 28 61 1 64 29 58 1 65 29 59 1 66 30 62 1 67 30 63 1 68 31 33 1 69 31 64 1 70 32 33 1 71 32 65 1 @SUBSTRUCTURE 1 noname 1