@MOLECULE (1s,4r,5s,6s,7s)-2,8-dioxabicyclo[3.2.1]octane-4,6,7-triyl triacetate 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1954 -1.2481 1.6274 O.3 1 UNL1111111111 -0.3754 2 O 0.2559 -2.7547 -0.0933 O.3 1 UNL1111111111 -0.4005 3 O -0.3799 1.5391 0.6124 O.3 1 UNL1111111111 -0.4067 4 O -2.2142 -0.1301 0.1548 O.3 1 UNL1111111111 -0.4131 5 O 2.8072 -0.3266 -0.6880 O.3 1 UNL1111111111 -0.4621 6 O -1.3635 2.2547 -1.2819 O.2 1 UNL1111111111 -0.5100 7 O -3.3705 -1.6117 -1.0817 O.2 1 UNL1111111111 -0.4883 8 O 3.8660 0.7292 0.9881 O.2 1 UNL1111111111 -0.4927 9 C 1.0288 -0.3036 0.9661 C.3 1 UNL1111111111 0.0312 10 C 0.1071 0.3969 -0.0663 C.3 1 UNL1111111111 0.0576 11 C -0.9979 -0.6688 -0.3235 C.3 1 UNL1111111111 0.0005 12 C -0.5642 -1.8489 0.5943 C.3 1 UNL1111111111 0.2638 13 C 2.1063 -1.1410 0.2483 C.3 1 UNL1111111111 0.0498 14 C 1.4482 -2.2180 -0.6403 C.3 1 UNL1111111111 -0.0623 15 C -1.1768 2.3836 -0.1010 C.2 1 UNL1111111111 0.6371 16 C -3.3689 -0.6665 -0.3414 C.2 1 UNL1111111111 0.6227 17 C 3.6830 0.5947 -0.1912 C.2 1 UNL1111111111 0.6360 18 C -1.6944 3.4435 0.8085 C.3 1 UNL1111111111 -0.5103 19 C -4.5272 0.0954 0.1964 C.3 1 UNL1111111111 -0.5094 20 C 4.3013 1.3366 -1.3225 C.3 1 UNL1111111111 -0.5094 21 H 1.4228 0.3685 1.7520 H 1 UNL1111111111 0.1877 22 H 0.6180 0.7127 -0.9972 H 1 UNL1111111111 0.1608 23 H -1.0872 -0.9602 -1.3893 H 1 UNL1111111111 0.1729 24 H -1.3551 -2.4587 1.0587 H 1 UNL1111111111 0.1743 25 H 2.8223 -1.5715 0.9807 H 1 UNL1111111111 0.1628 26 H 1.2220 -1.8202 -1.6486 H 1 UNL1111111111 0.1441 27 H 2.0874 -3.1153 -0.7409 H 1 UNL1111111111 0.1563 28 H -2.2088 3.0078 1.6806 H 1 UNL1111111111 0.1888 29 H -2.4018 4.1023 0.2831 H 1 UNL1111111111 0.1818 30 H -0.8761 4.0670 1.2031 H 1 UNL1111111111 0.1868 31 H -4.7728 0.9399 -0.4697 H 1 UNL1111111111 0.1896 32 H -4.3304 0.5121 1.1961 H 1 UNL1111111111 0.1849 33 H -5.4211 -0.5458 0.2601 H 1 UNL1111111111 0.1883 34 H 3.5427 1.8698 -1.9189 H 1 UNL1111111111 0.1904 35 H 4.8289 0.6578 -2.0121 H 1 UNL1111111111 0.1871 36 H 5.0269 2.0795 -0.9552 H 1 UNL1111111111 0.1850 @BOND 1 1 9 1 2 1 12 1 3 2 12 1 4 2 14 1 5 3 10 1 6 3 15 1 7 4 11 1 8 4 16 1 9 5 13 1 10 5 17 1 11 6 15 2 12 7 16 2 13 8 17 2 14 9 10 1 15 9 13 1 16 9 21 1 17 10 11 1 18 10 22 1 19 11 12 1 20 11 23 1 21 12 24 1 22 13 14 1 23 13 25 1 24 14 26 1 25 14 27 1 26 15 18 1 27 16 19 1 28 17 20 1 29 18 28 1 30 18 29 1 31 18 30 1 32 19 31 1 33 19 32 1 34 19 33 1 35 20 34 1 36 20 35 1 37 20 36 1