@MOLECULE beta-d-fructofuranosyl 6-o-decanoyl-alpha-d-glucopyranoside 74 75 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.2831 -0.8845 -0.0067 C.3 1 UNL1111111111 -0.2681 2 C 4.8550 -0.3484 0.1557 C.3 1 UNL1111111111 -0.2709 3 C 3.8388 -1.4565 -0.1422 C.3 1 UNL1111111111 -0.2570 4 C 2.4090 -0.9529 0.0658 C.3 1 UNL1111111111 -0.3588 5 C 1.4300 -1.9624 -0.4415 C.2 1 UNL1111111111 0.6187 6 O 1.6242 -2.8990 -1.1714 O.2 1 UNL1111111111 -0.5131 7 O 0.1904 -1.6759 0.0430 O.3 1 UNL1111111111 -0.4540 8 C -0.8653 -2.5525 -0.3622 C.3 1 UNL1111111111 -0.0318 9 C -2.1445 -1.8274 0.0522 C.3 1 UNL1111111111 0.0657 10 C -3.2413 -2.8232 0.4819 C.3 1 UNL1111111111 0.0783 11 C -4.5357 -2.0391 0.7519 C.3 1 UNL1111111111 0.0461 12 C -4.9373 -1.1944 -0.4677 C.3 1 UNL1111111111 0.0275 13 C -3.7282 -0.3942 -1.0259 C.3 1 UNL1111111111 0.2813 14 O -2.5786 -1.1729 -1.1359 O.3 1 UNL1111111111 -0.4193 15 O -3.5153 0.6082 -0.0503 O.3 1 UNL1111111111 -0.4831 16 C -3.5126 1.9541 -0.4156 C.3 1 UNL1111111111 0.3904 17 C -3.5465 2.7097 0.9535 C.3 1 UNL1111111111 0.0678 18 C -2.0608 2.6595 1.3796 C.3 1 UNL1111111111 0.0550 19 C -1.2920 2.5182 0.0451 C.3 1 UNL1111111111 0.0222 20 O -2.2659 2.3049 -0.9802 O.3 1 UNL1111111111 -0.4600 21 C -0.3048 1.3523 -0.0051 C.3 1 UNL1111111111 -0.0412 22 O 0.8368 1.7476 -0.7380 O.3 1 UNL1111111111 -0.5574 23 O -1.8041 3.9049 1.9853 O.3 1 UNL1111111111 -0.5576 24 O -4.3864 2.0060 1.8264 O.3 1 UNL1111111111 -0.5336 25 C -4.5853 2.3725 -1.4301 C.3 1 UNL1111111111 -0.0687 26 O -4.2267 2.0195 -2.7448 O.3 1 UNL1111111111 -0.5233 27 O -5.9598 -0.3095 -0.0837 O.3 1 UNL1111111111 -0.5536 28 O -5.5129 -3.0333 0.9913 O.3 1 UNL1111111111 -0.5699 29 O -2.7653 -3.4012 1.6776 O.3 1 UNL1111111111 -0.5501 30 H 6.4652 -1.7010 0.7170 H 1 UNL1111111111 0.1368 31 H 6.4058 -1.3355 -1.0100 H 1 UNL1111111111 0.1398 32 H 4.7097 0.0432 1.1791 H 1 UNL1111111111 0.1354 33 H 4.6914 0.5105 -0.5228 H 1 UNL1111111111 0.1404 34 H 3.9657 -1.8204 -1.1833 H 1 UNL1111111111 0.1586 35 H 4.0297 -2.3381 0.4998 H 1 UNL1111111111 0.1453 36 H 2.2206 -0.7190 1.1338 H 1 UNL1111111111 0.1749 37 H 2.2476 0.0150 -0.4697 H 1 UNL1111111111 0.2030 38 H -0.8137 -2.7227 -1.4554 H 1 UNL1111111111 0.1612 39 H -0.7328 -3.5098 0.1779 H 1 UNL1111111111 0.1613 40 H -1.9478 -1.0743 0.8495 H 1 UNL1111111111 0.1653 41 H -3.4030 -3.6343 -0.2618 H 1 UNL1111111111 0.1498 42 H -4.4489 -1.4130 1.6701 H 1 UNL1111111111 0.1515 43 H -5.4097 -1.8135 -1.2636 H 1 UNL1111111111 0.1695 44 H -3.8659 -0.0021 -2.0572 H 1 UNL1111111111 0.1792 45 H -3.9063 3.7554 0.8456 H 1 UNL1111111111 0.1535 46 H -1.8600 1.8482 2.1075 H 1 UNL1111111111 0.1538 47 H -0.8021 3.4761 -0.2480 H 1 UNL1111111111 0.1660 48 H 0.1081 1.0811 0.9826 H 1 UNL1111111111 0.1481 49 H -0.7637 0.4536 -0.4732 H 1 UNL1111111111 0.1757 50 H 0.6090 1.8702 -1.6830 H 1 UNL1111111111 0.3240 51 H -0.8521 4.0064 2.1907 H 1 UNL1111111111 0.3286 52 H -4.4680 2.4916 2.6781 H 1 UNL1111111111 0.3324 53 H -5.5401 1.8278 -1.2625 H 1 UNL1111111111 0.1788 54 H -4.7692 3.4621 -1.3921 H 1 UNL1111111111 0.1380 55 H -3.3171 2.3384 -2.9474 H 1 UNL1111111111 0.3300 56 H -5.5973 0.3789 0.5327 H 1 UNL1111111111 0.3450 57 H -6.4072 -2.6268 1.0002 H 1 UNL1111111111 0.3376 58 H -3.4964 -3.8931 2.1165 H 1 UNL1111111111 0.3382 59 C 7.3159 0.2319 0.1908 C.3 1 UNL1111111111 -0.2751 60 C 8.7381 -0.3247 0.0461 C.3 1 UNL1111111111 -0.2752 61 C 9.7802 0.7937 0.1679 C.3 1 UNL1111111111 -0.2729 62 C 11.2003 0.2238 0.0479 C.3 1 UNL1111111111 -0.2507 63 C 12.2448 1.3365 0.1374 C.3 1 UNL1111111111 -0.4399 64 H 7.1478 1.0396 -0.5456 H 1 UNL1111111111 0.1371 65 H 7.1903 0.6978 1.1853 H 1 UNL1111111111 0.1349 66 H 8.9208 -1.0977 0.8157 H 1 UNL1111111111 0.1364 67 H 8.8467 -0.8361 -0.9290 H 1 UNL1111111111 0.1377 68 H 9.6113 1.5567 -0.6144 H 1 UNL1111111111 0.1366 69 H 9.6644 1.3193 1.1336 H 1 UNL1111111111 0.1358 70 H 11.3755 -0.5245 0.8438 H 1 UNL1111111111 0.1336 71 H 11.3099 -0.3207 -0.9090 H 1 UNL1111111111 0.1341 72 H 13.2614 0.9338 0.0697 H 1 UNL1111111111 0.1403 73 H 12.1242 2.0638 -0.6732 H 1 UNL1111111111 0.1423 74 H 12.1691 1.8821 1.0844 H 1 UNL1111111111 0.1420 @BOND 1 1 2 1 2 1 30 1 3 1 31 1 4 1 59 1 5 2 3 1 6 2 32 1 7 2 33 1 8 3 4 1 9 3 34 1 10 3 35 1 11 4 5 1 12 4 36 1 13 4 37 1 14 5 6 2 15 5 7 1 16 7 8 1 17 8 9 1 18 8 38 1 19 8 39 1 20 9 10 1 21 9 14 1 22 9 40 1 23 10 41 1 24 11 10 1 25 11 28 1 26 11 12 1 27 11 42 1 28 12 13 1 29 12 43 1 30 13 15 1 31 13 44 1 32 14 13 1 33 15 16 1 34 16 25 1 35 16 17 1 36 17 24 1 37 17 45 1 38 18 17 1 39 18 23 1 40 18 46 1 41 19 18 1 42 19 47 1 43 20 19 1 44 20 16 1 45 21 22 1 46 21 19 1 47 21 48 1 48 21 49 1 49 22 50 1 50 23 51 1 51 24 52 1 52 25 26 1 53 25 53 1 54 25 54 1 55 26 55 1 56 27 12 1 57 27 56 1 58 28 57 1 59 29 10 1 60 29 58 1 61 59 60 1 62 59 64 1 63 59 65 1 64 60 61 1 65 60 66 1 66 60 67 1 67 61 62 1 68 61 68 1 69 61 69 1 70 62 63 1 71 62 70 1 72 62 71 1 73 63 72 1 74 63 73 1 75 63 74 1