@MOLECULE urceolatol 36 39 0 0 0 SMALL GASTEIGER @ATOM 1 BR -5.3631 -0.3104 -0.3107 Br 1 UNL1111111111 -0.0339 2 BR 5.3620 0.3086 -0.3078 Br 1 UNL1111111111 -0.0338 3 O -0.8555 2.3438 -0.4205 O.3 1 UNL1111111111 -0.3316 4 O 0.8521 -2.3441 -0.4221 O.3 1 UNL1111111111 -0.3318 5 O -0.4188 -2.6820 1.4818 O.3 1 UNL1111111111 -0.3814 6 O 0.4272 2.6870 1.4741 O.3 1 UNL1111111111 -0.3816 7 O -3.4895 2.2637 -0.4212 O.3 1 UNL1111111111 -0.4170 8 O 3.4877 -2.2641 -0.4358 O.3 1 UNL1111111111 -0.4168 9 C -0.7205 -0.0398 -0.1583 C.ar 1 UNL1111111111 -0.0507 10 C 0.7187 0.0392 -0.1614 C.ar 1 UNL1111111111 -0.0503 11 C -1.3547 -1.2853 -0.0759 C.ar 1 UNL1111111111 -0.0867 12 C 1.3532 1.2851 -0.0826 C.ar 1 UNL1111111111 -0.0870 13 C 0.4759 2.4929 0.0868 C.3 1 UNL1111111111 0.3085 14 C -0.4763 -2.4924 0.0940 C.3 1 UNL1111111111 0.3085 15 C -1.4530 1.1380 -0.2689 C.ar 1 UNL1111111111 0.1760 16 C 1.4508 -1.1384 -0.2730 C.ar 1 UNL1111111111 0.1757 17 C -2.7381 -1.3568 -0.1112 C.ar 1 UNL1111111111 -0.1145 18 C 2.7367 1.3566 -0.1187 C.ar 1 UNL1111111111 -0.1143 19 C -2.8658 1.0723 -0.3117 C.ar 1 UNL1111111111 0.2050 20 C 2.8634 -1.0730 -0.3178 C.ar 1 UNL1111111111 0.2049 21 C -3.4763 -0.1766 -0.2401 C.ar 1 UNL1111111111 -0.1431 22 C 3.4747 0.1762 -0.2453 C.ar 1 UNL1111111111 -0.1430 23 C 0.3864 -3.7776 1.8864 C.3 1 UNL1111111111 -0.1939 24 C -0.3747 3.7840 1.8806 C.3 1 UNL1111111111 -0.1938 25 H 0.7924 3.4080 -0.4615 H 1 UNL1111111111 0.1460 26 H -0.7956 -3.4096 -0.4491 H 1 UNL1111111111 0.1460 27 H -3.2392 -2.3228 -0.0322 H 1 UNL1111111111 0.1764 28 H 3.2377 2.3228 -0.0409 H 1 UNL1111111111 0.1765 29 H -4.4788 2.1862 -0.4348 H 1 UNL1111111111 0.3282 30 H 4.4771 -2.1856 -0.4449 H 1 UNL1111111111 0.3280 31 H 0.3475 -3.7121 2.9813 H 1 UNL1111111111 0.1486 32 H 1.4179 -3.6592 1.5352 H 1 UNL1111111111 0.1444 33 H -0.0409 -4.7209 1.5368 H 1 UNL1111111111 0.1198 34 H -0.3222 3.7260 2.9753 H 1 UNL1111111111 0.1485 35 H -1.4101 3.6609 1.5428 H 1 UNL1111111111 0.1443 36 H 0.0460 4.7260 1.5196 H 1 UNL1111111111 0.1198 @BOND 1 1 21 1 2 2 22 1 3 3 13 1 4 3 15 1 5 4 14 1 6 4 16 1 7 5 14 1 8 5 23 1 9 6 13 1 10 6 24 1 11 7 19 1 12 7 29 1 13 8 20 1 14 8 30 1 15 9 10 1 16 9 11 ar 17 9 15 ar 18 10 12 ar 19 10 16 ar 20 11 14 1 21 11 17 ar 22 12 13 1 23 12 18 ar 24 13 25 1 25 14 26 1 26 15 19 ar 27 16 20 ar 28 17 21 ar 29 17 27 1 30 18 22 ar 31 18 28 1 32 19 21 ar 33 20 22 ar 34 23 31 1 35 23 32 1 36 23 33 1 37 24 34 1 38 24 35 1 39 24 36 1