@MOLECULE 3,4,6-tri-o-acetyl-d-glucal 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3067 -2.5342 0.1334 O.2 1 UNL111111111 -0.3404 2 O 0.5863 -0.0946 -1.2440 O.3 1 UNL111111111 -0.4267 3 O -2.3427 0.5414 0.5918 O.3 1 UNL111111111 -0.4636 4 O 2.1314 -0.4021 1.5923 O.3 1 UNL111111111 -0.4369 5 O 1.4204 1.9503 -0.8164 O.2 1 UNL111111111 -0.5374 6 O -4.1436 0.9563 -0.6894 O.2 1 UNL111111111 -0.5056 7 O 3.6672 -0.0519 -0.0145 O.2 1 UNL111111111 -0.5329 8 C -0.1928 -0.0597 -0.0540 C.3 1 UNL111111111 0.0368 9 C 0.1283 -1.3217 0.7528 C.3 1 UNL111111111 0.0489 10 C -1.6622 -0.0481 -0.5293 C.3 1 UNL111111111 0.1411 11 C 1.6412 -1.5534 0.9166 C.3 1 UNL111111111 -0.0480 12 C -2.1974 -1.4059 -0.7995 C.2 1 UNL111111111 -0.3864 13 C -1.5042 -2.5079 -0.4925 C.2 1 UNL111111111 0.1490 14 C 1.3962 0.9685 -1.5144 C.2 1 UNL111111111 0.6496 15 C -3.6035 1.0026 0.3836 C.2 1 UNL111111111 0.6422 16 C 3.1174 0.3216 0.9899 C.2 1 UNL111111111 0.6534 17 C 2.1890 0.6830 -2.7364 C.3 1 UNL111111111 -0.5095 18 C -4.1419 1.5474 1.6625 C.3 1 UNL111111111 -0.5112 19 C 3.3508 1.5722 1.7561 C.3 1 UNL111111111 -0.5112 20 H 0.0331 0.8527 0.5545 H 1 UNL111111111 0.1825 21 H -0.3924 -1.2681 1.7393 H 1 UNL111111111 0.1561 22 H -1.7840 0.6231 -1.4150 H 1 UNL111111111 0.1631 23 H 1.8596 -2.4031 1.5881 H 1 UNL111111111 0.1503 24 H 2.1366 -1.7206 -0.0599 H 1 UNL111111111 0.1733 25 H -3.1691 -1.4421 -1.2848 H 1 UNL111111111 0.1878 26 H -1.7631 -3.5410 -0.7141 H 1 UNL111111111 0.1623 27 H 2.3326 1.5923 -3.3394 H 1 UNL111111111 0.1863 28 H 3.1950 0.3166 -2.4446 H 1 UNL111111111 0.2083 29 H 1.7346 -0.0931 -3.3716 H 1 UNL111111111 0.1874 30 H -3.5043 2.3549 2.0556 H 1 UNL111111111 0.1866 31 H -4.1904 0.7687 2.4403 H 1 UNL111111111 0.1845 32 H -5.1558 1.9512 1.5202 H 1 UNL111111111 0.1826 33 H 2.9501 1.5326 2.7797 H 1 UNL111111111 0.1849 34 H 2.8493 2.4164 1.2386 H 1 UNL111111111 0.2088 35 H 4.4232 1.8125 1.8090 H 1 UNL111111111 0.1841 @BOND 1 1 9 1 2 1 13 1 3 2 8 1 4 2 14 1 5 3 10 1 6 3 15 1 7 4 11 1 8 4 16 1 9 5 14 2 10 6 15 2 11 7 16 2 12 8 9 1 13 8 10 1 14 8 20 1 15 9 11 1 16 9 21 1 17 10 12 1 18 10 22 1 19 11 23 1 20 11 24 1 21 12 13 2 22 12 25 1 23 13 26 1 24 14 17 1 25 15 18 1 26 16 19 1 27 17 27 1 28 17 28 1 29 17 29 1 30 18 30 1 31 18 31 1 32 18 32 1 33 19 33 1 34 19 34 1 35 19 35 1