@MOLECULE [(4s)-4-isopropenyl-1-cyclohexen-1-yl]methyl beta-d-glucopyranoside 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0570 -0.8637 0.0115 O.3 1 UNL1111111111 -0.4702 2 O -0.2160 0.2819 0.6328 O.3 1 UNL1111111111 -0.4046 3 O -3.6931 2.5883 -1.0433 O.3 1 UNL1111111111 -0.5480 4 O -5.4509 0.2756 -0.5622 O.3 1 UNL1111111111 -0.5562 5 O -2.0461 2.4431 1.4466 O.3 1 UNL1111111111 -0.5444 6 O -3.5412 -3.3921 0.0236 O.3 1 UNL1111111111 -0.5336 7 C -3.5919 1.5672 -0.0682 C.3 1 UNL1111111111 0.1095 8 C -4.0464 0.2511 -0.7337 C.3 1 UNL1111111111 0.0403 9 C -2.1089 1.5758 0.3307 C.3 1 UNL1111111111 0.0652 10 C -3.4661 -0.9828 -0.0214 C.3 1 UNL1111111111 0.0210 11 C -1.5990 0.2037 0.8316 C.3 1 UNL1111111111 0.2679 12 C 4.5335 0.2615 -0.0643 C.3 1 UNL1111111111 -0.1240 13 C 3.5375 -0.0358 -1.2000 C.3 1 UNL1111111111 -0.2685 14 C 2.1029 0.0886 -0.6739 C.3 1 UNL1111111111 -0.2680 15 C 1.9247 -0.6191 0.6306 C.2 1 UNL1111111111 -0.0196 16 C 4.3720 -0.7909 1.0522 C.3 1 UNL1111111111 -0.2695 17 C 0.5005 -0.8946 1.0158 C.3 1 UNL1111111111 -0.0467 18 C -3.6932 -2.2747 -0.8221 C.3 1 UNL1111111111 -0.0222 19 C 2.9392 -0.9954 1.4177 C.2 1 UNL1111111111 -0.1934 20 C 5.9500 0.2662 -0.5771 C.2 1 UNL1111111111 0.0601 21 C 6.7121 1.5240 -0.3171 C.3 1 UNL1111111111 -0.4631 22 C 6.4952 -0.7715 -1.2166 C.2 1 UNL1111111111 -0.3887 23 H -4.2408 1.8224 0.8048 H 1 UNL1111111111 0.1634 24 H -3.8028 0.2594 -1.8190 H 1 UNL1111111111 0.1489 25 H -1.4791 1.9666 -0.5029 H 1 UNL1111111111 0.1679 26 H -3.8687 -1.0804 1.0125 H 1 UNL1111111111 0.1538 27 H -1.8523 -0.0118 1.8900 H 1 UNL1111111111 0.1273 28 H 4.2778 1.2626 0.3652 H 1 UNL1111111111 0.1461 29 H 3.7092 -1.0514 -1.5993 H 1 UNL1111111111 0.1438 30 H 3.7008 0.6569 -2.0443 H 1 UNL1111111111 0.1387 31 H 1.3862 -0.2992 -1.4271 H 1 UNL1111111111 0.1550 32 H 1.8310 1.1592 -0.5427 H 1 UNL1111111111 0.1594 33 H 4.9612 -0.4833 1.9390 H 1 UNL1111111111 0.1442 34 H 4.8083 -1.7598 0.7266 H 1 UNL1111111111 0.1553 35 H 0.3632 -1.0537 2.0996 H 1 UNL1111111111 0.1253 36 H 0.1019 -1.7655 0.4593 H 1 UNL1111111111 0.1429 37 H -2.9878 -2.3562 -1.6711 H 1 UNL1111111111 0.1392 38 H -4.7330 -2.3677 -1.1832 H 1 UNL1111111111 0.1399 39 H 2.7788 -1.4941 2.3703 H 1 UNL1111111111 0.1432 40 H -4.6360 2.7933 -1.2168 H 1 UNL1111111111 0.3272 41 H -5.8795 -0.4710 -1.0241 H 1 UNL1111111111 0.3207 42 H -1.1285 2.7640 1.5757 H 1 UNL1111111111 0.3280 43 H 6.2430 2.3823 -0.8196 H 1 UNL1111111111 0.1581 44 H 6.7491 1.7529 0.7576 H 1 UNL1111111111 0.1566 45 H 7.7500 1.4708 -0.6715 H 1 UNL1111111111 0.1545 46 H -2.6359 -3.4004 0.4035 H 1 UNL1111111111 0.3221 47 H 7.5058 -0.7816 -1.5875 H 1 UNL1111111111 0.1478 48 H 5.9719 -1.6908 -1.4199 H 1 UNL1111111111 0.1475 @BOND 1 1 10 1 2 1 11 1 3 2 11 1 4 2 17 1 5 3 7 1 6 3 40 1 7 4 8 1 8 4 41 1 9 5 9 1 10 5 42 1 11 6 18 1 12 6 46 1 13 7 8 1 14 7 9 1 15 7 23 1 16 8 10 1 17 8 24 1 18 9 11 1 19 9 25 1 20 10 18 1 21 10 26 1 22 11 27 1 23 12 13 1 24 12 16 1 25 12 20 1 26 12 28 1 27 13 14 1 28 13 29 1 29 13 30 1 30 14 15 1 31 14 31 1 32 14 32 1 33 15 17 1 34 15 19 2 35 16 19 1 36 16 33 1 37 16 34 1 38 17 35 1 39 17 36 1 40 18 37 1 41 18 38 1 42 19 39 1 43 20 21 1 44 20 22 2 45 21 43 1 46 21 44 1 47 21 45 1 48 22 47 1 49 22 48 1