@MOLECULE n-octanoyl-beta-d-glucopyranosylamine 48 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5009 1.2104 -0.0268 O.3 1 UNL1111111111 -0.4486 2 O 3.4093 -2.6052 -1.0388 O.3 1 UNL1111111111 -0.5673 3 O 5.5056 -0.6631 -0.6113 O.3 1 UNL1111111111 -0.5751 4 O 1.3398 -2.1021 0.9663 O.3 1 UNL1111111111 -0.5867 5 O 5.9410 2.0138 -0.6111 O.3 1 UNL1111111111 -0.5437 6 O -0.6204 -0.5453 1.9367 O.2 1 UNL1111111111 -0.5720 7 N 0.3526 0.8323 0.4415 N.am 1 UNL1111111111 -0.6301 8 C 3.3140 -1.5366 -0.1176 C.3 1 UNL1111111111 0.0696 9 C 4.1233 -0.4018 -0.7628 C.3 1 UNL1111111111 0.0739 10 C 1.8347 -1.1459 0.0627 C.3 1 UNL1111111111 0.0309 11 C 3.8857 0.9153 0.0041 C.3 1 UNL1111111111 0.0466 12 C 1.6915 0.2773 0.6721 C.3 1 UNL1111111111 0.2614 13 C 4.5414 2.1094 -0.7161 C.3 1 UNL1111111111 -0.0111 14 C -0.7368 0.3926 1.1636 C.2 1 UNL1111111111 0.6105 15 C -2.0411 1.1126 0.9412 C.3 1 UNL1111111111 -0.3569 16 C -3.0767 0.1082 0.4177 C.3 1 UNL1111111111 -0.2506 17 C -4.4383 0.7858 0.2321 C.3 1 UNL1111111111 -0.2701 18 C -5.4795 -0.2292 -0.2567 C.3 1 UNL1111111111 -0.2730 19 C -6.8430 0.4455 -0.4510 C.3 1 UNL1111111111 -0.2749 20 C -7.8919 -0.5732 -0.9175 C.3 1 UNL1111111111 -0.2506 21 C -9.2521 0.0964 -1.1123 C.3 1 UNL1111111111 -0.4399 22 H 3.7618 -1.8725 0.8475 H 1 UNL1111111111 0.1597 23 H 3.8964 -0.3109 -1.8481 H 1 UNL1111111111 0.1509 24 H 1.2720 -1.2428 -0.8922 H 1 UNL1111111111 0.1526 25 H 4.2442 0.8432 1.0554 H 1 UNL1111111111 0.1545 26 H 1.9462 0.2846 1.7624 H 1 UNL1111111111 0.1548 27 H 4.2935 3.0693 -0.2260 H 1 UNL1111111111 0.1497 28 H 4.2610 2.1576 -1.7829 H 1 UNL1111111111 0.1270 29 H 0.2956 1.5894 -0.2279 H 1 UNL1111111111 0.3305 30 H 2.8031 -3.3307 -0.7631 H 1 UNL1111111111 0.3434 31 H 5.7217 -1.5430 -0.9966 H 1 UNL1111111111 0.3497 32 H 0.5470 -1.7450 1.4506 H 1 UNL1111111111 0.3707 33 H -1.9509 1.9732 0.2534 H 1 UNL1111111111 0.1579 34 H -2.3801 1.5354 1.9140 H 1 UNL1111111111 0.1829 35 H -3.1646 -0.7413 1.1281 H 1 UNL1111111111 0.1630 36 H -2.7360 -0.3340 -0.5378 H 1 UNL1111111111 0.1429 37 H -4.3572 1.6206 -0.4888 H 1 UNL1111111111 0.1359 38 H -4.7734 1.2375 1.1853 H 1 UNL1111111111 0.1399 39 H -5.1471 -0.6899 -1.2057 H 1 UNL1111111111 0.1379 40 H -5.5691 -1.0601 0.4688 H 1 UNL1111111111 0.1415 41 H -7.1721 0.9186 0.4928 H 1 UNL1111111111 0.1373 42 H -6.7608 1.2656 -1.1880 H 1 UNL1111111111 0.1354 43 H 6.2265 1.0806 -0.7502 H 1 UNL1111111111 0.3426 44 H -7.9769 -1.3935 -0.1797 H 1 UNL1111111111 0.1355 45 H -7.5655 -1.0476 -1.8621 H 1 UNL1111111111 0.1342 46 H -9.6119 0.5516 -0.1828 H 1 UNL1111111111 0.1429 47 H -9.2056 0.8865 -1.8700 H 1 UNL1111111111 0.1422 48 H -10.0078 -0.6273 -1.4378 H 1 UNL1111111111 0.1421 @BOND 1 1 11 1 2 1 12 1 3 2 8 1 4 2 30 1 5 3 9 1 6 3 31 1 7 4 10 1 8 4 32 1 9 5 13 1 10 5 43 1 11 6 14 2 12 7 12 1 13 7 14 am 14 7 29 1 15 8 9 1 16 8 10 1 17 8 22 1 18 9 11 1 19 9 23 1 20 10 12 1 21 10 24 1 22 11 13 1 23 11 25 1 24 12 26 1 25 13 27 1 26 13 28 1 27 14 15 1 28 15 16 1 29 15 33 1 30 15 34 1 31 16 17 1 32 16 35 1 33 16 36 1 34 17 18 1 35 17 37 1 36 17 38 1 37 18 19 1 38 18 39 1 39 18 40 1 40 19 20 1 41 19 41 1 42 19 42 1 43 20 21 1 44 20 44 1 45 20 45 1 46 21 46 1 47 21 47 1 48 21 48 1