@MOLECULE FDBF00459 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -0.8860 0.6400 0.0840 C.3 1 FRG1 -0.0612 2 O1 2.0840 -0.8700 0.0290 O.3 1 FRG1 -0.4607 3 C2 2.4290 -2.1300 0.4400 C.2 1 FRG1 0.3071 4 O3 2.6190 -2.4730 1.5990 O.2 1 FRG1 -0.2509 5 C4 1.5240 1.4650 0.4640 C.3 1 FRG1 0.0241 6 C5 0.3210 1.3660 -0.5210 C.3 1 FRG1 -0.0277 7 C6 -0.0710 2.7670 -1.0760 C.3 1 FRG1 -0.0222 8 C7 1.1470 3.5270 -1.5320 C.2 1 FRG1 -0.0806 9 C8 2.3940 3.2390 -1.1370 C.2 1 FRG1 -0.0621 10 C9 2.7010 2.1800 -0.1920 C.2 1 FRG1 -0.0445 11 C10 3.9810 1.8650 0.0810 C.2 1 FRG1 -0.0775 12 C11 4.4120 0.7940 1.0470 C.3 1 FRG1 -0.0218 13 C12 3.2400 0.2200 1.8630 C.3 1 FRG1 -0.0090 14 C13 1.9410 0.1010 1.0610 C.3 1 FRG1 0.1106 15 C25 -0.8660 3.6390 -0.0990 C.3 1 FRG1 -0.0587 16 C29 5.1880 -0.2960 0.3040 C.3 1 FRG1 -0.0588 17 C1 2.5730 -3.0440 -0.7650 C.3 1 FRG1 0.0421 18 C5 3.6650 -4.0670 -0.4640 C.3 1 FRG1 -0.0552 19 H -1.6773 0.6030 -0.6353 H 1 FRG1 0.0233 20 H -1.2193 1.1661 0.9541 H 1 FRG1 0.0233 21 H -0.6039 -0.3558 0.3555 H 1 FRG1 0.0233 22 H 1.1931 2.0515 1.2955 H 1 FRG1 0.0387 23 H 0.6485 0.7652 -1.3436 H 1 FRG1 0.0311 24 H -0.7181 2.5591 -1.9024 H 1 FRG1 0.0343 25 H 1.0131 4.3142 -2.1858 H 1 FRG1 0.0575 26 H 3.1730 3.7957 -1.5222 H 1 FRG1 0.0617 27 H 4.7195 2.3957 -0.4068 H 1 FRG1 0.0578 28 H 5.0636 1.2443 1.7664 H 1 FRG1 0.0342 29 H 3.0637 0.8617 2.7009 H 1 FRG1 0.0307 30 H 3.5180 -0.7689 2.1623 H 1 FRG1 0.0307 31 H 1.1678 -0.2156 1.7294 H 1 FRG1 0.0740 32 H -0.2555 3.8732 0.7480 H 1 FRG1 0.0235 33 H -1.7370 3.1086 0.2249 H 1 FRG1 0.0235 34 H -1.1607 4.5442 -0.5875 H 1 FRG1 0.0235 35 H 4.5498 -0.7572 -0.4205 H 1 FRG1 0.0235 36 H 5.5254 -1.0328 1.0027 H 1 FRG1 0.0235 37 H 6.0313 0.1400 -0.1896 H 1 FRG1 0.0235 38 H 1.6470 -3.5473 -0.9499 H 1 FRG1 0.0375 39 H 2.8324 -2.4726 -1.6317 H 1 FRG1 0.0375 40 H 3.3951 -4.6319 0.4037 H 1 FRG1 0.0235 41 H 4.5899 -3.5594 -0.2856 H 1 FRG1 0.0235 42 H 3.7755 -4.7268 -1.2990 H 1 FRG1 0.0235 @BOND 1 8 9 2 2 8 7 1 3 9 10 1 4 7 6 1 5 7 15 1 6 17 18 1 7 17 3 1 8 6 1 1 9 6 5 1 10 10 11 2 11 10 5 1 12 2 3 1 13 2 14 1 14 11 12 1 15 16 12 1 16 3 4 2 17 5 14 1 18 12 13 1 19 14 13 1 20 1 19 1 21 1 20 1 22 1 21 1 23 5 22 1 24 6 23 1 25 7 24 1 26 8 25 1 27 9 26 1 28 11 27 1 29 12 28 1 30 13 29 1 31 13 30 1 32 14 31 1 33 15 32 1 34 15 33 1 35 15 34 1 36 16 35 1 37 16 36 1 38 16 37 1 39 17 38 1 40 17 39 1 41 18 40 1 42 18 41 1 43 18 42 1