@MOLECULE 86624720 42 44 1 SMALL USER_CHARGES @ATOM 1 F1 5.3881 1.4874 -4.3853 F 1 noname -0.1628 2 O1 -6.0252 0.8747 -1.0281 O.2 1 noname -0.2925 3 O2 2.2585 3.0276 -2.8270 O.3 1 noname -0.2717 4 N1 -3.2052 0.2942 -1.1404 N.3 1 noname -0.2994 5 N2 -5.8280 0.6082 1.1852 N.3 1 noname -0.0853 6 C1 -1.8928 -0.2905 -0.8179 C.3 1 noname 0.0328 7 C2 -1.9745 -0.5707 0.6791 C.3 1 noname -0.0316 8 C3 -4.1983 -0.4790 -0.3763 C.3 1 noname 0.0817 9 C4 -3.4210 -0.9777 0.8787 C.3 1 noname -0.0274 10 C5 -0.7989 0.6186 -1.2940 C.2 1 noname -0.0581 11 C6 -5.3874 0.3571 -0.0813 C.2 1 noname 0.0411 12 C7 -0.3123 0.4215 -2.6071 C.2 1 noname -0.0424 13 C8 -0.2552 1.6733 -0.5170 C.2 1 noname -0.0424 14 C9 0.7170 1.2262 -3.1246 C.2 1 noname -0.0275 15 C10 0.7767 2.4834 -1.0238 C.2 1 noname -0.0275 16 C11 1.2663 2.2476 -2.3242 C.2 1 noname 0.0006 17 C12 3.5086 2.4328 -2.4831 C.3 1 noname 0.0813 18 C13 4.5860 3.2569 -3.0261 C.2 1 noname 0.0084 19 C14 5.4883 2.7218 -3.9703 C.2 1 noname 0.0342 20 C15 4.7224 4.5952 -2.6012 C.2 1 noname -0.0332 21 C16 6.5241 3.5279 -4.4797 C.2 1 noname -0.0056 22 C17 5.7574 5.3952 -3.1150 C.2 1 noname -0.0612 23 C18 6.6588 4.8618 -4.0531 C.2 1 noname -0.0446 24 H1 -1.7967 -1.2632 -1.3079 H 1 noname 0.0516 25 H2 -1.7755 0.3152 1.2812 H 1 noname 0.0286 26 H3 -1.3651 -1.3931 1.0310 H 1 noname 0.0286 27 H4 -4.4699 -1.3634 -0.9647 H 1 noname 0.0562 28 H5 -3.6996 -0.4541 1.8191 H 1 noname 0.0288 29 H6 -3.5468 -2.0560 0.9761 H 1 noname 0.0288 30 H7 -3.3882 0.1897 -2.1405 H 1 noname 0.1235 31 H8 -0.7055 -0.3178 -3.2036 H 1 noname 0.0627 32 H9 -0.5953 1.8753 0.4279 H 1 noname 0.0627 33 H10 1.0741 1.0669 -4.0763 H 1 noname 0.0650 34 H11 1.1785 3.2385 -0.4503 H 1 noname 0.0650 35 H12 -5.3931 0.2059 1.9599 H 1 noname 0.1271 36 H13 -6.5755 1.1967 1.3435 H 1 noname 0.1271 37 H14 3.5650 1.4322 -2.9118 H 1 noname 0.0624 38 H15 3.5376 2.4027 -1.3939 H 1 noname 0.0624 39 H16 4.0734 4.9967 -1.9214 H 1 noname 0.0627 40 H17 7.1802 3.1456 -5.1593 H 1 noname 0.0653 41 H18 5.8533 6.3612 -2.8061 H 1 noname 0.0622 42 H19 7.4095 5.4422 -4.4233 H 1 noname 0.0623 @BOND 1 1 19 1 2 2 11 2 3 3 16 1 4 3 17 1 5 4 6 1 6 4 8 1 7 4 30 1 8 5 11 1 9 5 35 1 10 5 36 1 11 6 7 1 12 6 10 1 13 6 24 1 14 7 9 1 15 7 25 1 16 7 26 1 17 8 9 1 18 8 11 1 19 8 27 1 20 9 28 1 21 9 29 1 22 10 12 2 23 10 13 1 24 12 14 1 25 12 31 1 26 13 15 2 27 13 32 1 28 14 16 2 29 14 33 1 30 15 16 1 31 15 34 1 32 17 18 1 33 17 37 1 34 17 38 1 35 18 19 1 36 18 20 2 37 19 21 2 38 20 22 1 39 20 39 1 40 21 23 1 41 21 40 1 42 22 23 2 43 22 41 1 44 23 42 1 @SUBSTRUCTURE 1 noname 1