@MOLECULE 4-methoxy-5-isopropylfuro[2,3:6,7]coumarin 33 35 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.4536 1.5979 0.1064 O.2 1 UNL11111111 -0.0062 2 O -2.6645 -1.7376 -0.3911 O.3 1 UNL11111111 0.0129 3 O 3.2725 1.1202 0.1239 O.3 1 UNL11111111 -0.2410 4 O 5.4434 0.9729 0.1222 O.2 1 UNL11111111 -0.2758 5 C -3.8310 1.2281 0.0056 C.3 1 UNL11111111 0.3031 6 C -2.4765 0.6384 -0.0099 C.ar 1 UNL11111111 -0.1696 7 C -0.5029 -0.4964 -0.0973 C.ar 1 UNL11111111 -0.1144 8 C -1.9495 -0.6153 -0.1379 C.ar 1 UNL11111111 -0.0484 9 C -0.2692 0.9061 0.0586 C.ar 1 UNL11111111 0.1821 10 C 0.5658 -1.3618 -0.1929 C.ar 1 UNL11111111 -0.2019 11 C -4.6290 0.6500 1.1818 C.3 1 UNL11111111 -0.9576 12 C -4.5312 0.9269 -1.3260 C.3 1 UNL11111111 -1.0061 13 C 1.8640 -0.8303 -0.1175 C.ar 1 UNL11111111 -0.0619 14 C 0.9848 1.4731 0.1382 C.ar 1 UNL11111111 -0.5749 15 C 2.0477 0.5624 0.0461 C.ar 1 UNL11111111 0.3320 16 C 3.0403 -1.6550 -0.2070 C.2 1 UNL11111111 -0.0976 17 C 4.2657 -1.0990 -0.1335 C.2 1 UNL11111111 -0.4035 18 C 4.4341 0.3318 0.0378 C.2 1 UNL11111111 0.3908 19 C -2.5798 -2.6951 0.6660 C.3 1 UNL11111111 -0.7418 20 H -3.7541 2.3426 0.1319 H 1 UNL11111111 0.1569 21 H 0.4133 -2.4316 -0.3316 H 1 UNL11111111 0.2357 22 H -4.1392 0.8604 2.1392 H 1 UNL11111111 0.2720 23 H -5.6370 1.0773 1.2220 H 1 UNL11111111 0.2685 24 H -4.7346 -0.4384 1.0926 H 1 UNL11111111 0.2977 25 H -3.9815 1.3550 -2.1727 H 1 UNL11111111 0.2576 26 H -5.5458 1.3381 -1.3432 H 1 UNL11111111 0.2773 27 H -4.6061 -0.1551 -1.4995 H 1 UNL11111111 0.3268 28 H 1.1551 2.5390 0.2584 H 1 UNL11111111 0.3179 29 H 2.9042 -2.7317 -0.3356 H 1 UNL11111111 0.2269 30 H 5.1880 -1.6750 -0.1966 H 1 UNL11111111 0.2297 31 H -1.5480 -3.0223 0.8182 H 1 UNL11111111 0.2678 32 H -2.9985 -2.2858 1.5897 H 1 UNL11111111 0.2640 33 H -3.1983 -3.5178 0.2877 H 1 UNL11111111 0.2810 @BOND 1 25 12 1 2 27 12 1 3 26 12 1 4 12 5 1 5 2 8 1 6 2 19 1 7 29 16 1 8 21 10 1 9 16 17 2 10 16 13 1 11 30 17 1 12 10 13 ar 13 10 7 ar 14 8 7 ar 15 8 6 ar 16 17 18 1 17 13 15 ar 18 7 9 ar 19 6 5 1 20 6 1 ar 21 5 20 1 22 5 11 1 23 18 4 2 24 18 3 1 25 15 3 1 26 15 14 ar 27 9 1 ar 28 9 14 ar 29 14 28 1 30 33 19 1 31 19 31 1 32 19 32 1 33 24 11 1 34 11 23 1 35 11 22 1