@MOLECULE 73425490 68 69 1 SMALL USER_CHARGES @ATOM 1 F1 -3.4830 -4.7004 -0.6064 F 1 noname -0.1652 2 O1 1.4031 -1.7158 -2.6914 O.3 1 noname -0.3797 3 O2 4.1471 -0.4221 1.4044 O.3 1 noname -0.3955 4 O3 -4.7855 2.6440 1.8364 O.3 1 noname -0.3888 5 O4 -3.4912 6.5394 0.5279 O.3 1 noname -0.3923 6 O5 -7.2480 7.2931 -1.5102 O.3 1 noname -0.2182 7 O6 -6.2335 8.0041 0.3882 O.2 1 noname -0.2551 8 N1 1.7427 1.9024 -0.0594 N.2 1 noname -0.2615 9 C1 2.2577 0.7411 -0.4837 C.2 1 noname 0.0115 10 C2 1.3221 -0.2934 -0.7612 C.2 1 noname -0.0099 11 C3 0.4547 2.2392 0.0125 C.2 1 noname 0.0103 12 C4 3.7559 0.7490 -0.6843 C.3 1 noname 0.0611 13 C5 -0.0964 -0.1313 -0.4639 C.2 1 noname -0.0066 14 C6 -0.5429 1.2493 -0.2332 C.2 1 noname -0.0113 15 C7 0.4179 3.7266 0.1204 C.3 1 noname 0.0461 16 C8 1.9015 -1.5134 -1.3795 C.3 1 noname 0.0738 17 C9 -0.9984 -1.3183 -0.4732 C.2 1 noname -0.0422 18 C10 -1.8450 1.8279 -0.3066 C.2 1 noname -0.0359 19 C11 4.5245 0.7131 0.6449 C.3 1 noname 0.0513 20 C12 4.3189 1.9561 -1.4686 C.3 1 noname -0.0547 21 C13 -4.0397 2.7110 0.6128 C.3 1 noname 0.0750 22 C14 -0.5694 4.4443 1.0407 C.3 1 noname -0.0572 23 C15 0.3463 4.3379 -1.2803 C.3 1 noname -0.0572 24 C16 -3.6812 4.2118 0.3576 C.3 1 noname 0.0034 25 C17 -2.8441 1.8020 0.6209 C.2 1 noname -0.0512 26 C18 -4.4914 5.5291 0.5865 C.3 1 noname 0.0662 27 C19 -2.3891 -1.2497 -0.7818 C.2 1 noname -0.0272 28 C20 -0.5488 -2.6440 -0.1408 C.2 1 noname -0.0272 29 C21 -5.5202 5.8670 -0.5391 C.3 1 noname 0.0596 30 C22 -3.2511 -2.3633 -0.7603 C.2 1 noname -0.0034 31 C23 -1.3474 -3.7917 -0.3074 C.2 1 noname -0.0034 32 C24 -2.7173 -3.6496 -0.5709 C.2 1 noname 0.0271 33 C25 1.9823 -2.8896 -3.2419 C.3 1 noname 0.0360 34 C26 -6.3375 7.1224 -0.5015 C.2 1 noname 0.1361 35 H1 4.0865 -0.1096 -1.2708 H 1 noname 0.0389 36 H2 1.4235 4.0116 0.4296 H 1 noname 0.0362 37 H3 1.6647 -2.3806 -0.7631 H 1 noname 0.0618 38 H4 2.9827 -1.4153 -1.4762 H 1 noname 0.0618 39 H5 -1.9707 2.4559 -1.0875 H 1 noname 0.0627 40 H6 4.3100 1.6182 1.2132 H 1 noname 0.0570 41 H7 5.5946 0.6892 0.4390 H 1 noname 0.0570 42 H8 5.4014 1.8610 -1.5541 H 1 noname 0.0238 43 H9 3.8765 1.9806 -2.4644 H 1 noname 0.0238 44 H10 4.0758 2.8780 -0.9402 H 1 noname 0.0238 45 H11 -4.7194 2.4115 -0.1876 H 1 noname 0.0646 46 H12 -0.4217 5.5214 0.9626 H 1 noname 0.0237 47 H13 0.3194 5.4248 -1.2015 H 1 noname 0.0237 48 H14 -0.5547 3.9878 -1.7840 H 1 noname 0.0237 49 H15 1.2233 4.0369 -1.8534 H 1 noname 0.0237 50 H16 -1.5886 4.1950 0.7452 H 1 noname 0.0237 51 H17 -0.4020 4.1283 2.0703 H 1 noname 0.0237 52 H18 -3.1034 4.2960 -0.5628 H 1 noname 0.0323 53 H19 -2.9602 4.3350 1.1658 H 1 noname 0.0323 54 H20 -2.8097 1.1480 1.3793 H 1 noname 0.0603 55 H21 -4.9253 5.5769 1.5940 H 1 noname 0.0606 56 H22 -2.8103 -0.3660 -1.0425 H 1 noname 0.0630 57 H23 0.3903 -2.8096 0.2392 H 1 noname 0.0630 58 H24 -6.1758 5.0114 -0.7009 H 1 noname 0.0399 59 H25 -4.9887 5.8683 -1.4907 H 1 noname 0.0399 60 H26 -4.2541 -2.2169 -0.9060 H 1 noname 0.0653 61 H27 -0.9273 -4.7202 -0.2046 H 1 noname 0.0653 62 H28 4.6453 -0.4309 2.2483 H 1 noname 0.2100 63 H29 -5.0247 1.7121 2.0225 H 1 noname 0.2108 64 H30 -3.9054 7.4173 0.6623 H 1 noname 0.2104 65 H31 1.5992 -3.0452 -4.2504 H 1 noname 0.0529 66 H32 1.7264 -3.7472 -2.6197 H 1 noname 0.0529 67 H33 3.0659 -2.7775 -3.2782 H 1 noname 0.0529 68 H34 -7.7472 8.1302 -1.6651 H 1 noname 0.2213 @BOND 1 1 32 1 2 2 16 1 3 2 33 1 4 3 19 1 5 3 62 1 6 21 4 1 7 4 63 1 8 26 5 1 9 5 64 1 10 6 34 1 11 6 68 1 12 7 34 2 13 8 9 2 14 8 11 1 15 9 10 1 16 9 12 1 17 10 13 2 18 10 16 1 19 11 14 2 20 11 15 1 21 12 19 1 22 12 20 1 23 12 35 1 24 13 14 1 25 13 17 1 26 14 18 1 27 15 22 1 28 15 23 1 29 15 36 1 30 16 37 1 31 16 38 1 32 17 27 2 33 17 28 1 34 18 25 2 35 18 39 1 36 19 40 1 37 19 41 1 38 20 42 1 39 20 43 1 40 20 44 1 41 21 24 1 42 21 25 1 43 21 45 1 44 22 46 1 45 22 50 1 46 22 51 1 47 23 47 1 48 23 48 1 49 23 49 1 50 24 26 1 51 24 52 1 52 24 53 1 53 25 54 1 54 26 29 1 55 26 55 1 56 27 30 1 57 27 56 1 58 28 31 2 59 28 57 1 60 29 34 1 61 29 58 1 62 29 59 1 63 30 32 2 64 30 60 1 65 31 32 1 66 31 61 1 67 33 65 1 68 33 66 1 69 33 67 1 @SUBSTRUCTURE 1 noname 1