@MOLECULE (1r,4r,5s,6s,7r,10r,11s,12s)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6833 2.4708 -1.7558 O.3 1 UNL1111111111 -0.5278 2 C 3.2026 1.6804 -0.7115 C.3 1 UNL1111111111 -0.0343 3 C 2.1242 0.7645 -0.0888 C.3 1 UNL1111111111 0.3596 4 O 1.2598 1.6761 0.5152 O.3 1 UNL1111111111 -0.3785 5 C 0.1447 1.1707 1.2186 C.3 1 UNL1111111111 -0.0708 6 C -1.1314 1.4380 0.4135 C.3 1 UNL1111111111 0.0521 7 O -1.1788 0.6198 -0.7465 O.3 1 UNL1111111111 -0.3991 8 C -1.8123 -0.6101 -0.4701 C.3 1 UNL1111111111 0.3297 9 C -2.7558 -0.8724 -1.6602 C.3 1 UNL1111111111 -0.0553 10 O -3.9784 -0.2065 -1.4521 O.3 1 UNL1111111111 -0.5436 11 O -0.8468 -1.6213 -0.3138 O.3 1 UNL1111111111 -0.4541 12 C 0.0551 -1.7829 -1.3930 C.3 1 UNL1111111111 -0.0439 13 C 1.4585 -1.2930 -1.0328 C.3 1 UNL1111111111 0.0231 14 O 1.4578 0.1211 -1.1594 O.3 1 UNL1111111111 -0.4108 15 C 1.9554 -1.6378 0.3826 C.3 1 UNL1111111111 0.0557 16 O 2.9547 -2.6306 0.3126 O.3 1 UNL1111111111 -0.5569 17 C 2.6840 -0.3528 0.8411 C.3 1 UNL1111111111 0.0319 18 O 2.3410 -0.0378 2.1655 O.3 1 UNL1111111111 -0.5289 19 C -2.5591 -0.4741 0.8910 C.3 1 UNL1111111111 0.0480 20 O -2.0516 -1.2736 1.9186 O.3 1 UNL1111111111 -0.5206 21 C -2.3599 1.0247 1.2539 C.3 1 UNL1111111111 0.0426 22 O -3.4285 1.7838 0.7365 O.3 1 UNL1111111111 -0.5477 23 H 1.6996 2.4508 -1.7383 H 1 UNL1111111111 0.3375 24 H 4.0123 1.0898 -1.1776 H 1 UNL1111111111 0.1447 25 H 3.6113 2.3773 0.0462 H 1 UNL1111111111 0.1477 26 H 0.2425 0.0980 1.4548 H 1 UNL1111111111 0.1426 27 H 0.1683 1.7534 2.1622 H 1 UNL1111111111 0.1523 28 H -1.1823 2.4699 0.0071 H 1 UNL1111111111 0.1796 29 H -2.3215 -0.5235 -2.6157 H 1 UNL1111111111 0.1418 30 H -3.0355 -1.9395 -1.7305 H 1 UNL1111111111 0.1566 31 H -3.8149 0.7273 -1.1681 H 1 UNL1111111111 0.3417 32 H 0.0465 -2.8776 -1.5640 H 1 UNL1111111111 0.1395 33 H -0.2904 -1.2593 -2.3058 H 1 UNL1111111111 0.1538 34 H 2.1915 -1.6554 -1.7981 H 1 UNL1111111111 0.1558 35 H 1.1542 -1.9511 1.0786 H 1 UNL1111111111 0.1475 36 H 2.5616 -3.5230 0.2452 H 1 UNL1111111111 0.3255 37 H 3.7864 -0.4600 0.7487 H 1 UNL1111111111 0.1554 38 H 2.8624 -0.5905 2.7883 H 1 UNL1111111111 0.3249 39 H -3.6286 -0.7720 0.8237 H 1 UNL1111111111 0.1837 40 H -1.0789 -1.3873 1.8263 H 1 UNL1111111111 0.3258 41 H -2.2566 1.1922 2.3409 H 1 UNL1111111111 0.1472 42 H -4.2183 1.7217 1.3125 H 1 UNL1111111111 0.3258 @BOND 1 1 2 1 2 1 23 1 3 2 3 1 4 2 24 1 5 2 25 1 6 3 14 1 7 3 4 1 8 4 5 1 9 5 6 1 10 5 26 1 11 5 27 1 12 6 28 1 13 7 6 1 14 8 7 1 15 8 19 1 16 8 9 1 17 9 29 1 18 9 30 1 19 10 9 1 20 10 31 1 21 11 8 1 22 12 11 1 23 12 32 1 24 12 33 1 25 13 12 1 26 13 14 1 27 13 34 1 28 15 13 1 29 15 35 1 30 16 15 1 31 16 36 1 32 17 15 1 33 17 3 1 34 17 37 1 35 18 17 1 36 18 38 1 37 19 39 1 38 20 19 1 39 20 40 1 40 21 19 1 41 21 6 1 42 21 22 1 43 21 41 1 44 22 42 1