@MOLECULE DB01384 57 60 1 SMALL USER_CHARGES @ATOM 1 F1 2.4176 0.2483 -0.6454 F 1 noname -0.2424 2 C1 1.5189 -0.2626 0.2783 C.3 1 noname 0.1228 3 C2 0.5756 -1.2736 -0.2552 C.2 1 noname -0.0069 4 C3 0.8010 0.9119 1.0032 C.3 1 noname -0.0142 5 C4 1.0164 -2.0418 -1.2726 C.2 1 noname 0.0324 6 C5 -0.8151 -1.4610 0.2879 C.3 1 noname 0.0156 7 C6 -0.6814 1.2100 0.5690 C.3 1 noname -0.0284 8 C7 0.2132 -2.9859 -1.8815 C.2 1 noname 0.0664 9 C8 -1.5974 -2.4533 -0.4699 C.2 1 noname -0.0394 10 C9 -1.5772 -0.0930 0.5568 C.3 1 noname 0.0008 11 C10 -0.7313 -2.1296 1.6821 C.3 1 noname -0.0518 12 C11 -0.9736 2.2573 -0.5845 C.3 1 noname -0.0290 13 O1 0.6728 -3.6650 -2.8309 O.2 1 noname -0.3031 14 C12 -1.0936 -3.1629 -1.4952 C.2 1 noname 0.0167 15 C13 -2.9830 0.1082 -0.1048 C.3 1 noname 0.0590 16 C14 -1.8614 1.8167 -1.7887 C.3 1 noname 0.0094 17 C15 0.2507 2.9747 -1.1995 C.3 1 noname -0.0437 18 O2 -3.8157 1.0079 0.6278 O.3 1 noname -0.3926 19 C16 -2.8387 0.6287 -1.5536 C.3 1 noname -0.0178 20 C17 -0.7966 1.5293 -2.9240 C.3 1 noname 0.1333 21 C18 -2.8698 2.9855 -1.9551 C.3 1 noname -0.0561 22 C19 0.3118 2.6145 -2.6847 C.3 1 noname -0.0071 23 O3 -0.2535 0.2375 -2.6682 O.3 1 noname -0.3810 24 C20 -1.1673 1.3443 -4.3624 C.2 1 noname 0.1743 25 C21 1.7802 2.3146 -3.0579 C.3 1 noname -0.0593 26 O4 -0.2518 1.1251 -5.1825 O.2 1 noname -0.2780 27 C22 -2.5155 1.1547 -4.9263 C.3 1 noname 0.1047 28 O5 -3.3082 2.3301 -4.8240 O.3 1 noname -0.3883 29 H1 2.1816 -0.8487 0.9150 H 1 noname 0.0709 30 H2 0.7413 0.6043 2.0472 H 1 noname 0.0302 31 H3 1.3682 1.8012 0.7286 H 1 noname 0.0302 32 H4 2.0428 -1.8967 -1.6096 H 1 noname 0.0664 33 H5 -1.0145 1.8363 1.3966 H 1 noname 0.0311 34 H6 -2.6407 -2.6827 -0.2528 H 1 noname 0.0586 35 H7 -1.8629 -0.2474 1.5973 H 1 noname 0.0344 36 H8 -0.7382 -3.2134 1.5663 H 1 noname 0.0242 37 H9 0.1901 -1.8230 2.1772 H 1 noname 0.0242 38 H10 -1.5866 -1.8230 2.2841 H 1 noname 0.0242 39 H11 -1.5463 2.9592 0.0217 H 1 noname 0.0312 40 H12 -1.7389 -3.8755 -2.0088 H 1 noname 0.0660 41 H13 -3.5355 -0.8305 -0.0628 H 1 noname 0.0603 42 H14 0.0613 4.0465 -1.1408 H 1 noname 0.0273 43 H15 1.1412 2.5523 -0.7339 H 1 noname 0.0273 44 H16 -3.6869 0.8688 1.5688 H 1 noname 0.2104 45 H17 -2.4143 -0.2059 -2.1117 H 1 noname 0.0300 46 H18 -3.8247 1.0133 -1.8142 H 1 noname 0.0300 47 H19 -3.1777 3.3424 -0.9723 H 1 noname 0.0237 48 H20 -2.3960 3.7987 -2.5049 H 1 noname 0.0237 49 H21 -3.7437 2.6360 -2.5049 H 1 noname 0.0237 50 H22 0.0756 3.4247 -3.3746 H 1 noname 0.0334 51 H23 -0.1945 0.0971 -1.7203 H 1 noname 0.2115 52 H24 2.3689 2.1944 -2.1485 H 1 noname 0.0234 53 H25 1.8259 1.3969 -3.6443 H 1 noname 0.0234 54 H26 2.1821 3.1409 -3.6443 H 1 noname 0.0234 55 H27 -2.3897 0.9792 -5.9947 H 1 noname 0.0647 56 H28 -3.0156 0.4102 -4.3069 H 1 noname 0.0647 57 H29 -3.4503 2.5407 -3.8982 H 1 noname 0.2106 @BOND 1 2 1 1 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 7 4 1 7 5 8 1 8 6 9 1 9 6 10 1 10 6 11 1 11 7 12 1 12 7 10 1 13 8 13 2 14 8 14 1 15 9 14 2 16 10 15 1 17 12 16 1 18 12 17 1 19 15 18 1 20 15 19 1 21 16 20 1 22 16 21 1 23 16 19 1 24 17 22 1 25 20 23 1 26 20 24 1 27 20 22 1 28 22 25 1 29 24 26 2 30 24 27 1 31 27 28 1 32 2 29 1 33 4 30 1 34 4 31 1 35 5 32 1 36 7 33 1 37 9 34 1 38 10 35 1 39 11 36 1 40 11 37 1 41 11 38 1 42 12 39 1 43 14 40 1 44 15 41 1 45 17 42 1 46 17 43 1 47 18 44 1 48 19 45 1 49 19 46 1 50 21 47 1 51 21 48 1 52 21 49 1 53 22 50 1 54 23 51 1 55 25 52 1 56 25 53 1 57 25 54 1 58 27 55 1 59 27 56 1 60 28 57 1 @SUBSTRUCTURE 1 noname 1