@MOLECULE DB01741 51 54 1 SMALL USER_CHARGES @ATOM 1 F1 7.2595 4.3358 -0.3583 F 1 noname -0.1627 2 C1 6.3143 5.2124 -0.1828 C.2 1 noname 0.0290 3 C2 4.9919 4.7971 -0.0785 C.2 1 noname 0.0089 4 C3 6.6268 6.5642 -0.0994 C.2 1 noname -0.0065 5 C4 4.6793 3.4453 -0.1619 C.2 1 noname -0.0490 6 C5 3.9820 5.7336 0.1091 C.2 1 noname -0.0373 7 C6 5.6170 7.5008 0.0882 C.2 1 noname -0.0499 8 C7 3.3569 3.0300 -0.0576 C.2 1 noname 0.0058 9 C8 5.6892 2.5087 -0.3495 C.2 1 noname -0.0357 10 C9 4.2946 7.0855 0.1924 C.2 1 noname -0.0618 11 O1 2.3761 3.9396 0.1246 O.3 1 noname -0.8371 12 C10 3.0443 1.6781 -0.1410 C.2 1 noname -0.0395 13 C11 5.3766 1.1569 -0.4328 C.2 1 noname -0.0774 14 C12 1.7219 1.2628 -0.0367 C.2 1 noname -0.0252 15 C13 4.0542 0.7416 -0.3286 C.2 1 noname -0.0280 16 C14 6.4373 0.1732 -0.6298 C.3 1 noname 0.0219 17 N1 1.3160 -0.0233 -0.1045 N.2 1 noname -0.2233 18 N2 0.6706 2.0923 0.1460 N.3 1 noname -0.0335 19 C15 6.9353 -0.2722 0.6683 C.2 1 noname -0.0675 20 C16 7.5805 0.8080 -1.4241 C.3 1 noname -0.0083 21 C17 -0.0244 -0.0180 0.0333 C.2 1 noname 0.0187 22 C18 -0.4256 1.3177 0.2366 C.2 1 noname -0.0582 23 O2 6.8636 -1.4794 0.9846 O.2 1 noname -0.4791 24 O3 7.4731 0.6198 1.5272 O.3 1 noname -0.4791 25 C19 8.6412 -0.1757 -1.6212 C.2 1 noname -0.0707 26 C20 -0.9526 -1.1027 0.0388 C.2 1 noname 0.0259 27 C21 -1.7838 1.6675 0.5200 C.2 1 noname -0.0242 28 O4 9.7887 0.0451 -1.1774 O.2 1 noname -0.4815 29 O5 8.3827 -1.3238 -2.2827 O.3 1 noname -0.4815 30 C22 -2.3161 -0.7640 0.2805 C.2 1 noname 0.0074 31 C23 -2.7202 0.5927 0.5363 C.2 1 noname -0.0103 32 C24 -3.2567 -1.7463 0.2689 C.2 1 noname 0.0024 33 N3 -4.4804 -1.4597 0.4833 N.2 1 noname 0.1640 34 N4 -2.9053 -2.9869 0.0376 N.3 1 noname -0.1007 35 H1 7.6638 6.8899 -0.1812 H 1 noname 0.0653 36 H2 2.9450 5.4080 0.1908 H 1 noname 0.0630 37 H3 5.8621 8.5608 0.1535 H 1 noname 0.0623 38 H4 6.7262 2.8344 -0.4312 H 1 noname 0.0631 39 H5 3.5027 7.8199 0.3395 H 1 noname 0.0622 40 H6 3.8091 -0.3185 -0.3939 H 1 noname 0.0632 41 H7 6.0112 -0.6881 -1.1444 H 1 noname 0.0334 42 H8 0.6989 3.1003 0.2039 H 1 noname 0.1543 43 H9 7.2003 1.0421 -2.4185 H 1 noname 0.0254 44 H10 8.0128 1.5954 -0.8067 H 1 noname 0.0254 45 H11 -0.6378 -2.1322 -0.1321 H 1 noname 0.0655 46 H12 -2.0882 2.6962 0.7129 H 1 noname 0.0643 47 H13 -3.7665 0.8126 0.7486 H 1 noname 0.0632 48 H14 -4.7657 -0.4945 0.5682 H 1 noname 0.2870 49 H15 -5.1645 -2.1978 0.5682 H 1 noname 0.2870 50 H16 -3.6114 -3.7035 -0.0516 H 1 noname 0.1297 51 H17 -1.9282 -3.2267 -0.0516 H 1 noname 0.1297 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 10 1 11 8 11 1 12 8 12 1 13 9 13 2 14 12 14 1 15 12 15 2 16 13 16 1 17 13 15 1 18 14 17 2 19 14 18 1 20 16 19 1 21 16 20 1 22 17 21 1 23 18 22 1 24 19 23 2 25 19 24 1 26 20 25 1 27 21 26 1 28 21 22 2 29 22 27 1 30 25 28 2 31 25 29 1 32 26 30 2 33 27 31 2 34 30 32 1 35 30 31 1 36 32 33 2 37 32 34 1 38 4 35 1 39 6 36 1 40 7 37 1 41 9 38 1 42 10 39 1 43 15 40 1 44 16 41 1 45 18 42 1 46 20 43 1 47 20 44 1 48 26 45 1 49 27 46 1 50 31 47 1 51 33 48 1 52 33 49 1 53 34 50 1 54 34 51 1 @SUBSTRUCTURE 1 noname 1