@MOLECULE FDBF00458 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -1.9930 0.4660 -0.9470 C.3 1 FRG1 -0.0650 2 C1 -0.8860 0.6400 0.0840 C.3 1 FRG1 -0.0519 3 O1 2.0840 -0.8700 0.0290 O.3 1 FRG1 -0.4629 4 C2 2.4290 -2.1300 0.4400 C.2 1 FRG1 0.2945 5 O3 2.6190 -2.4730 1.5990 O.2 1 FRG1 -0.2546 6 C4 1.5240 1.4650 0.4640 C.3 1 FRG1 0.0243 7 C5 0.3210 1.3660 -0.5210 C.3 1 FRG1 -0.0251 8 C6 -0.0710 2.7670 -1.0760 C.3 1 FRG1 -0.0219 9 C7 1.1470 3.5270 -1.5320 C.2 1 FRG1 -0.0806 10 C8 2.3940 3.2390 -1.1370 C.2 1 FRG1 -0.0621 11 C9 2.7010 2.1800 -0.1920 C.2 1 FRG1 -0.0444 12 C10 3.9810 1.8650 0.0810 C.2 1 FRG1 -0.0775 13 C11 4.4120 0.7940 1.0470 C.3 1 FRG1 -0.0218 14 C12 3.2400 0.2200 1.8630 C.3 1 FRG1 -0.0091 15 C13 1.9410 0.1010 1.0610 C.3 1 FRG1 0.1103 16 C25 -0.8660 3.6390 -0.0990 C.3 1 FRG1 -0.0587 17 C29 5.1880 -0.2960 0.3040 C.3 1 FRG1 -0.0588 18 H -2.8211 -0.0423 -0.4989 H 1 FRG1 0.0230 19 H -1.6255 -0.1087 -1.7714 H 1 FRG1 0.0230 20 H -2.3103 1.4267 -1.2952 H 1 FRG1 0.0230 21 H -0.5765 -0.3238 0.4308 H 1 FRG1 0.0266 22 H -1.2650 1.2269 0.8945 H 1 FRG1 0.0266 23 H 2.5380 -2.8514 -0.2898 H 1 FRG1 0.1512 24 H 1.1931 2.0515 1.2955 H 1 FRG1 0.0388 25 H 0.6485 0.7652 -1.3436 H 1 FRG1 0.0313 26 H -0.7181 2.5591 -1.9024 H 1 FRG1 0.0343 27 H 1.0131 4.3142 -2.1858 H 1 FRG1 0.0575 28 H 3.1730 3.7957 -1.5222 H 1 FRG1 0.0617 29 H 4.7195 2.3957 -0.4068 H 1 FRG1 0.0578 30 H 5.0636 1.2443 1.7664 H 1 FRG1 0.0342 31 H 3.0637 0.8617 2.7009 H 1 FRG1 0.0307 32 H 3.5180 -0.7689 2.1623 H 1 FRG1 0.0307 33 H 1.1678 -0.2156 1.7294 H 1 FRG1 0.0740 34 H -0.2555 3.8732 0.7480 H 1 FRG1 0.0235 35 H -1.7370 3.1086 0.2249 H 1 FRG1 0.0235 36 H -1.1607 4.5442 -0.5875 H 1 FRG1 0.0235 37 H 4.5498 -0.7572 -0.4205 H 1 FRG1 0.0235 38 H 5.5254 -1.0328 1.0027 H 1 FRG1 0.0235 39 H 6.0313 0.1400 -0.1896 H 1 FRG1 0.0235 @BOND 1 9 10 2 2 9 8 1 3 10 11 1 4 8 7 1 5 8 16 1 6 1 2 1 7 7 2 1 8 7 6 1 9 11 12 2 10 11 6 1 11 3 4 1 12 3 15 1 13 12 13 1 14 17 13 1 15 4 5 2 16 6 15 1 17 13 14 1 18 15 14 1 19 1 18 1 20 1 19 1 21 1 20 1 22 2 21 1 23 2 22 1 24 4 23 1 25 6 24 1 26 7 25 1 27 8 26 1 28 9 27 1 29 10 28 1 30 12 29 1 31 13 30 1 32 14 31 1 33 14 32 1 34 15 33 1 35 16 34 1 36 16 35 1 37 16 36 1 38 17 37 1 39 17 38 1 40 17 39 1