@MOLECULE FDBF00153 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 C1 2.5710 3.2890 0.3990 C.3 1 FRG1 0.0421 2 C5 3.6120 4.3020 -0.0670 C.3 1 FRG1 -0.0552 3 C1 -0.2820 -1.3080 -1.0620 C.3 1 FRG1 -0.0612 4 O1 2.0720 1.0510 -0.1760 O.3 1 FRG1 -0.4606 5 C2 2.3560 2.2770 -0.7140 C.2 1 FRG1 0.3071 6 O3 2.4490 2.5280 -1.9080 O.2 1 FRG1 -0.2509 7 C4 2.1530 -1.4100 -0.2370 C.3 1 FRG1 0.0242 8 C5 0.6470 -1.5440 0.1350 C.3 1 FRG1 -0.0277 9 C6 0.3540 -2.9090 0.8250 C.3 1 FRG1 -0.0222 10 C7 1.3680 -3.2020 1.9000 C.2 1 FRG1 -0.0806 11 C8 2.5700 -2.6170 1.9660 C.2 1 FRG1 -0.0621 12 C9 3.0400 -1.6580 0.9830 C.2 1 FRG1 -0.0423 13 C10 4.2120 -1.0220 1.1620 C.2 1 FRG1 -0.0522 14 C11 4.7710 -0.0090 0.2040 C.3 1 FRG1 0.0773 15 C12 4.0220 0.0360 -1.1300 C.3 1 FRG1 0.0146 16 C13 2.5100 -0.0730 -0.9350 C.3 1 FRG1 0.1127 17 O24 6.1390 -0.3040 -0.0680 O.3 1 FRG1 -0.3876 18 C27 0.2820 -4.1040 -0.1310 C.3 1 FRG1 -0.0587 19 H 2.9205 2.7901 1.2787 H 1 FRG1 0.0375 20 H 1.6511 3.7854 0.6278 H 1 FRG1 0.0375 21 H 4.5269 3.7951 -0.2928 H 1 FRG1 0.0235 22 H 3.7836 5.0193 0.7082 H 1 FRG1 0.0235 23 H 3.2557 4.8021 -0.9432 H 1 FRG1 0.0235 24 H -0.0531 -0.3638 -1.5104 H 1 FRG1 0.0233 25 H -1.2990 -1.3078 -0.7295 H 1 FRG1 0.0233 26 H -0.1421 -2.0877 -1.7813 H 1 FRG1 0.0233 27 H 2.3470 -2.1710 -0.9637 H 1 FRG1 0.0387 28 H 0.4354 -0.7665 0.8390 H 1 FRG1 0.0311 29 H -0.6216 -2.7916 1.2486 H 1 FRG1 0.0343 30 H 1.1220 -3.8926 2.6263 H 1 FRG1 0.0575 31 H 3.1921 -2.8592 2.7530 H 1 FRG1 0.0617 32 H 4.7598 -1.2434 2.0082 H 1 FRG1 0.0600 33 H 4.6613 0.9436 0.6788 H 1 FRG1 0.0639 34 H 4.2424 0.9613 -1.6201 H 1 FRG1 0.0329 35 H 4.3425 -0.7971 -1.7201 H 1 FRG1 0.0329 36 H 2.0104 -0.0700 -1.8812 H 1 FRG1 0.0741 37 H 6.2036 -1.1715 -0.4971 H 1 FRG1 0.2102 38 H 1.2406 -4.2596 -0.5802 H 1 FRG1 0.0235 39 H -0.4418 -3.9072 -0.8941 H 1 FRG1 0.0235 40 H -0.0031 -4.9798 0.4136 H 1 FRG1 0.0235 @BOND 1 6 5 2 2 15 16 1 3 15 14 1 4 3 8 1 5 16 7 1 6 16 4 1 7 5 4 1 8 5 1 1 9 7 8 1 10 7 12 1 11 18 9 1 12 17 14 1 13 2 1 1 14 8 9 1 15 14 13 1 16 9 10 1 17 12 13 2 18 12 11 1 19 10 11 2 20 1 19 1 21 1 20 1 22 2 21 1 23 2 22 1 24 2 23 1 25 3 24 1 26 3 25 1 27 3 26 1 28 7 27 1 29 8 28 1 30 9 29 1 31 10 30 1 32 11 31 1 33 13 32 1 34 14 33 1 35 15 34 1 36 15 35 1 37 16 36 1 38 17 37 1 39 18 38 1 40 18 39 1 41 18 40 1