@MOLECULE FDBF00457 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O1 2.0840 -0.8700 0.0290 O.3 1 FRG1 -0.4607 2 C2 2.4290 -2.1300 0.4400 C.2 1 FRG1 0.3071 3 O3 2.6190 -2.4730 1.5990 O.2 1 FRG1 -0.2509 4 C4 1.5240 1.4650 0.4640 C.3 1 FRG1 0.0215 5 C5 0.3210 1.3660 -0.5210 C.3 1 FRG1 -0.0368 6 C6 -0.0710 2.7670 -1.0760 C.3 1 FRG1 -0.0248 7 C7 1.1470 3.5270 -1.5320 C.2 1 FRG1 -0.0809 8 C8 2.3940 3.2390 -1.1370 C.2 1 FRG1 -0.0621 9 C9 2.7010 2.1800 -0.1920 C.2 1 FRG1 -0.0447 10 C10 3.9810 1.8650 0.0810 C.2 1 FRG1 -0.0775 11 C11 4.4120 0.7940 1.0470 C.3 1 FRG1 -0.0218 12 C12 3.2400 0.2200 1.8630 C.3 1 FRG1 -0.0091 13 C13 1.9410 0.1010 1.0610 C.3 1 FRG1 0.1103 14 C25 -0.8660 3.6390 -0.0990 C.3 1 FRG1 -0.0589 15 C29 5.1880 -0.2960 0.3040 C.3 1 FRG1 -0.0588 16 C1 2.5730 -3.0440 -0.7650 C.3 1 FRG1 0.0421 17 C5 3.6650 -4.0670 -0.4640 C.3 1 FRG1 -0.0552 18 H 1.1931 2.0515 1.2955 H 1 FRG1 0.0385 19 H 0.5908 0.7301 -1.3382 H 1 FRG1 0.0278 20 H -0.5178 0.9653 0.0088 H 1 FRG1 0.0278 21 H -0.7181 2.5591 -1.9024 H 1 FRG1 0.0341 22 H 1.0131 4.3142 -2.1858 H 1 FRG1 0.0575 23 H 3.1730 3.7957 -1.5222 H 1 FRG1 0.0617 24 H 4.7195 2.3957 -0.4068 H 1 FRG1 0.0578 25 H 5.0636 1.2443 1.7664 H 1 FRG1 0.0342 26 H 3.0637 0.8617 2.7009 H 1 FRG1 0.0307 27 H 3.5180 -0.7689 2.1623 H 1 FRG1 0.0307 28 H 1.1678 -0.2156 1.7294 H 1 FRG1 0.0740 29 H -0.2555 3.8732 0.7480 H 1 FRG1 0.0235 30 H -1.7370 3.1086 0.2249 H 1 FRG1 0.0235 31 H -1.1607 4.5442 -0.5875 H 1 FRG1 0.0235 32 H 4.5498 -0.7572 -0.4205 H 1 FRG1 0.0235 33 H 5.5254 -1.0328 1.0027 H 1 FRG1 0.0235 34 H 6.0313 0.1400 -0.1896 H 1 FRG1 0.0235 35 H 1.6470 -3.5473 -0.9499 H 1 FRG1 0.0375 36 H 2.8324 -2.4726 -1.6317 H 1 FRG1 0.0375 37 H 3.3951 -4.6319 0.4037 H 1 FRG1 0.0235 38 H 4.5899 -3.5594 -0.2856 H 1 FRG1 0.0235 39 H 3.7755 -4.7268 -1.2990 H 1 FRG1 0.0235 @BOND 1 7 8 2 2 7 6 1 3 8 9 1 4 6 5 1 5 6 14 1 6 16 17 1 7 16 2 1 8 5 4 1 9 9 10 2 10 9 4 1 11 1 2 1 12 1 13 1 13 10 11 1 14 15 11 1 15 2 3 2 16 4 13 1 17 11 12 1 18 13 12 1 19 4 18 1 20 5 19 1 21 5 20 1 22 6 21 1 23 7 22 1 24 8 23 1 25 10 24 1 26 11 25 1 27 12 26 1 28 12 27 1 29 13 28 1 30 14 29 1 31 14 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 17 37 1 39 17 38 1 40 17 39 1