@MOLECULE 71478448 57 61 1 SMALL USER_CHARGES @ATOM 1 F1 -2.9160 -1.7153 -1.7365 F 1 noname -0.1608 2 O1 3.2823 -0.4542 -0.5357 O.3 1 noname -0.3484 3 O2 2.2310 -2.7847 2.0657 O.3 1 noname -0.3857 4 O3 4.9561 -3.6341 1.4039 O.3 1 noname -0.3873 5 O4 6.4235 -1.0654 1.2170 O.3 1 noname -0.3874 6 O5 5.0777 1.2708 -1.8497 O.3 1 noname -0.3934 7 N1 1.1600 -0.9344 0.2419 N.3 1 noname -0.0646 8 C1 -3.1983 4.9224 -2.2498 C.3 1 noname 0.0122 9 C2 -4.0751 5.8600 -1.4174 C.3 1 noname -0.0458 10 C3 -4.6866 5.0666 -2.5739 C.3 1 noname -0.0458 11 C4 -2.9784 3.6807 -1.5141 C.2 1 noname -0.0591 12 C5 2.5294 -0.9136 0.5772 C.3 1 noname 0.1566 13 C6 2.9840 -2.3254 0.9528 C.3 1 noname 0.1257 14 C7 4.4699 -2.3028 1.3167 C.3 1 noname 0.1127 15 C8 5.3152 -1.5464 0.4709 C.3 1 noname 0.1111 16 C9 4.6614 -0.4333 -0.1980 C.3 1 noname 0.1116 17 C10 -3.8589 2.6162 -1.6684 C.2 1 noname -0.0629 18 C11 -1.8887 3.5629 -0.6594 C.2 1 noname -0.0629 19 C12 -1.0423 -0.4852 0.2559 C.2 1 noname -0.0149 20 C13 0.6107 -1.6503 -0.7495 C.2 1 noname -0.0669 21 C14 -2.5598 1.3162 -0.1132 C.2 1 noname -0.0610 22 C15 -2.3399 0.0745 0.6225 C.3 1 noname 0.0466 23 C16 0.1885 -0.2370 0.8662 C.2 1 noname -0.1135 24 C17 -0.7718 -1.3753 -0.7718 C.2 1 noname 0.0125 25 C18 -3.6496 1.4340 -0.9680 C.2 1 noname -0.0602 26 C19 -1.6793 2.3807 0.0411 C.2 1 noname -0.0602 27 C20 5.4803 -0.0224 -1.4233 C.3 1 noname 0.0722 28 C21 1.1989 -2.6180 -1.6123 C.2 1 noname -0.0418 29 C22 -1.6514 -2.0166 -1.6862 C.2 1 noname 0.0435 30 C23 0.3190 -3.3190 -2.5050 C.2 1 noname -0.0330 31 C24 -1.0836 -3.0108 -2.5513 C.2 1 noname 0.0020 32 H1 -2.3854 5.5370 -2.6366 H 1 noname 0.0352 33 H2 -4.3274 5.3783 -0.4728 H 1 noname 0.0273 34 H3 -3.9501 6.9319 -1.5710 H 1 noname 0.0273 35 H4 -5.2294 4.2080 -2.1785 H 1 noname 0.0273 36 H5 -5.0610 5.7850 -3.3031 H 1 noname 0.0273 37 H6 2.6862 -0.2443 1.4231 H 1 noname 0.0852 38 H7 2.8272 -2.9947 0.1069 H 1 noname 0.0674 39 H8 4.5483 -1.8322 2.2967 H 1 noname 0.0657 40 H9 5.6673 -2.2077 -0.3208 H 1 noname 0.0657 41 H10 4.7162 0.3616 0.5458 H 1 noname 0.0656 42 H11 -4.6586 2.7026 -2.2956 H 1 noname 0.0625 43 H12 -1.2426 4.3440 -0.5461 H 1 noname 0.0625 44 H13 -3.1262 -0.6386 0.3749 H 1 noname 0.0366 45 H14 -2.3583 0.2784 1.6931 H 1 noname 0.0366 46 H15 0.3320 0.3800 1.6657 H 1 noname 0.0795 47 H16 -4.2957 0.6529 -1.0812 H 1 noname 0.0625 48 H17 -0.8796 2.2943 0.6683 H 1 noname 0.0625 49 H18 5.3142 -0.7385 -2.2281 H 1 noname 0.0591 50 H19 6.5389 -0.0063 -1.1640 H 1 noname 0.0591 51 H20 2.5222 -3.6890 2.3063 H 1 noname 0.2107 52 H21 4.4580 -4.1192 2.0945 H 1 noname 0.2106 53 H22 6.9235 -1.8237 1.5850 H 1 noname 0.2106 54 H23 2.2015 -2.8053 -1.5971 H 1 noname 0.0642 55 H24 0.6948 -4.0455 -3.1144 H 1 noname 0.0624 56 H25 -1.6850 -3.5064 -3.2093 H 1 noname 0.0653 57 H26 5.6023 1.5340 -2.6346 H 1 noname 0.2101 @BOND 1 1 29 1 2 2 12 1 3 2 16 1 4 13 3 1 5 3 51 1 6 14 4 1 7 4 52 1 8 15 5 1 9 5 53 1 10 6 27 1 11 6 57 1 12 12 7 1 13 7 20 1 14 7 23 1 15 8 9 1 16 8 10 1 17 8 11 1 18 8 32 1 19 9 10 1 20 9 33 1 21 9 34 1 22 10 35 1 23 10 36 1 24 11 17 2 25 11 18 1 26 12 13 1 27 12 37 1 28 13 14 1 29 13 38 1 30 14 15 1 31 14 39 1 32 15 16 1 33 15 40 1 34 16 27 1 35 16 41 1 36 17 25 1 37 17 42 1 38 18 26 2 39 18 43 1 40 19 22 1 41 19 23 2 42 19 24 1 43 20 24 2 44 20 28 1 45 21 22 1 46 21 25 2 47 21 26 1 48 22 44 1 49 22 45 1 50 23 46 1 51 24 29 1 52 25 47 1 53 26 48 1 54 27 49 1 55 27 50 1 56 28 30 2 57 28 54 1 58 29 31 2 59 30 31 1 60 30 55 1 61 31 56 1 @SUBSTRUCTURE 1 noname 1