@MOLECULE 56654067 62 65 1 SMALL USER_CHARGES @ATOM 1 F1 8.9393 2.1869 -1.6501 F 1 noname -0.1660 2 F2 8.9169 -0.0022 -2.1187 F 1 noname -0.1660 3 F3 9.6130 0.7060 -0.1121 F 1 noname -0.1660 4 O1 -0.7405 3.5896 -4.4573 O.3 1 noname -0.3786 5 O2 2.1779 -1.7998 -0.3169 O.3 1 noname -0.2734 6 O3 6.9428 1.5634 -6.7991 O.2 1 noname -0.2953 7 N1 -0.1925 1.3618 -3.0422 N.3 1 noname -0.1346 8 N2 3.4632 0.3659 0.9379 N.3 1 noname 0.0058 9 N3 6.2856 1.0700 -2.7719 N.3 1 noname -0.0079 10 N4 5.8214 0.3443 1.1605 N.2 1 noname -0.2755 11 N5 6.7648 2.8649 -5.1649 N.3 1 noname -0.0792 12 C1 0.5199 1.3687 -4.3018 C.3 1 noname 0.0267 13 C2 -1.5796 1.7739 -2.9292 C.3 1 noname 0.0267 14 C3 -1.9278 2.9192 -3.9323 C.3 1 noname 0.0599 15 C4 0.3933 2.7900 -4.9329 C.3 1 noname 0.0599 16 C5 0.5231 1.0681 -1.9212 C.2 1 noname -0.0460 17 C6 0.9297 -0.2560 -1.6351 C.2 1 noname -0.0381 18 C7 0.9451 2.1057 -1.0571 C.2 1 noname -0.0768 19 C8 1.8003 -0.5236 -0.5621 C.2 1 noname -0.0038 20 C9 2.3254 0.5382 0.2056 C.2 1 noname -0.0339 21 C10 1.8141 1.8385 0.0113 C.2 1 noname -0.0503 22 C11 4.7106 0.5399 0.4076 C.2 1 noname 0.0280 23 C12 6.2092 1.0254 -1.4416 C.2 1 noname 0.0178 24 C13 4.9140 0.9117 -0.9345 C.2 1 noname -0.0171 25 C14 7.3426 0.8379 -0.6201 C.2 1 noname -0.0082 26 C15 6.4128 -0.0083 -3.5607 C.2 1 noname 0.0082 27 C16 7.0974 0.4644 0.7137 C.2 1 noname 0.0260 28 C17 6.6343 0.2261 -4.9427 C.2 1 noname -0.0155 29 C18 8.7289 0.9340 -1.1349 C.3 1 noname 0.4191 30 C19 1.2588 -2.4008 0.5833 C.3 1 noname 0.0424 31 C20 6.3219 -1.3130 -3.0072 C.2 1 noname -0.0468 32 C21 6.7174 -0.9679 -5.7328 C.2 1 noname -0.0209 33 C22 6.4067 -2.4540 -3.8041 C.2 1 noname -0.0465 34 C23 6.7697 1.5461 -5.5603 C.2 1 noname 0.0123 35 C24 6.6017 -2.2691 -5.1876 C.2 1 noname -0.0710 36 C25 6.6396 3.6533 -3.9873 C.3 1 noname -0.0085 37 H1 -2.2291 0.9184 -3.1148 H 1 noname 0.0458 38 H2 -1.7402 2.0761 -1.8943 H 1 noname 0.0458 39 H3 0.0781 0.6324 -4.9732 H 1 noname 0.0458 40 H4 1.5566 1.0547 -4.1798 H 1 noname 0.0458 41 H5 -2.5701 3.6499 -3.4408 H 1 noname 0.0579 42 H6 -2.4231 2.4500 -4.7824 H 1 noname 0.0579 43 H7 0.3464 2.7027 -6.0184 H 1 noname 0.0579 44 H8 1.2857 3.3659 -4.6881 H 1 noname 0.0579 45 H9 0.6202 -1.0247 -2.2336 H 1 noname 0.0667 46 H10 0.6543 3.0693 -1.2346 H 1 noname 0.0639 47 H11 2.1219 2.6072 0.6098 H 1 noname 0.0640 48 H12 3.4243 -0.4860 1.4001 H 1 noname 0.1358 49 H13 4.1275 1.0288 -1.5803 H 1 noname 0.0673 50 H14 5.5824 1.6420 -3.1172 H 1 noname 0.1342 51 H15 7.8571 0.2693 1.3545 H 1 noname 0.0846 52 H16 1.5629 -3.4287 0.7808 H 1 noname 0.0535 53 H17 0.2619 -2.3952 0.1423 H 1 noname 0.0535 54 H18 1.2459 -1.8398 1.5177 H 1 noname 0.0535 55 H19 6.1809 -1.4535 -1.9983 H 1 noname 0.0639 56 H20 6.8595 -0.9169 -6.7427 H 1 noname 0.0631 57 H21 6.3172 -3.3844 -3.3955 H 1 noname 0.0623 58 H22 6.6519 -3.1062 -5.7859 H 1 noname 0.0622 59 H23 6.8852 3.4409 -5.9361 H 1 noname 0.1309 60 H24 5.7771 4.3130 -4.0818 H 1 noname 0.0396 61 H25 6.5046 2.9999 -3.1254 H 1 noname 0.0396 62 H26 7.5411 4.2509 -3.8526 H 1 noname 0.0396 @BOND 1 1 29 1 2 2 29 1 3 3 29 1 4 4 14 1 5 4 15 1 6 5 19 1 7 5 30 1 8 6 34 2 9 7 12 1 10 7 13 1 11 7 16 1 12 8 20 1 13 8 22 1 14 8 48 1 15 9 23 1 16 9 26 1 17 9 50 1 18 10 22 2 19 10 27 1 20 11 34 1 21 11 36 1 22 11 59 1 23 12 15 1 24 12 39 1 25 12 40 1 26 13 14 1 27 13 37 1 28 13 38 1 29 14 41 1 30 14 42 1 31 15 43 1 32 15 44 1 33 16 17 2 34 16 18 1 35 17 19 1 36 17 45 1 37 18 21 2 38 18 46 1 39 19 20 2 40 20 21 1 41 21 47 1 42 22 24 1 43 23 24 2 44 23 25 1 45 24 49 1 46 25 27 2 47 25 29 1 48 26 28 1 49 26 31 2 50 27 51 1 51 28 32 2 52 28 34 1 53 30 52 1 54 30 53 1 55 30 54 1 56 31 33 1 57 31 55 1 58 32 35 1 59 32 56 1 60 33 35 2 61 33 57 1 62 35 58 1 63 36 60 1 64 36 61 1 65 36 62 1 @SUBSTRUCTURE 1 noname 1