@MOLECULE (3r,6e)-2,10-dihydroxy-2,6,10-trimethyl-6,11-dodecadien-3-yl beta-d-glucopyranoside 67 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2948 0.4944 -0.4809 O.3 1 UNL1111111111 -0.5241 2 O -1.4878 0.0209 0.7591 O.3 1 UNL1111111111 -0.4355 3 O -2.2380 -2.8274 0.5692 O.3 1 UNL1111111111 -0.5502 4 O -5.1333 -2.8245 1.0775 O.3 1 UNL1111111111 -0.5596 5 O -6.4630 -1.1677 -0.7861 O.3 1 UNL1111111111 -0.5406 6 O -2.5201 2.6679 0.9087 O.3 1 UNL1111111111 -0.5998 7 O -4.8277 2.0544 -2.4624 O.3 1 UNL1111111111 -0.5335 8 O 7.5944 1.3132 0.4704 O.3 1 UNL1111111111 -0.5841 9 C -3.0505 -1.6771 0.6918 C.3 1 UNL1111111111 0.0271 10 C -2.3944 -0.5521 -0.1379 C.3 1 UNL1111111111 0.2912 11 C -4.4142 -2.0824 0.1143 C.3 1 UNL1111111111 0.0704 12 C -5.2751 -0.8218 -0.1117 C.3 1 UNL1111111111 0.0693 13 C -4.5261 0.1221 -1.0700 C.3 1 UNL1111111111 0.0691 14 C -0.7568 1.1600 0.2825 C.3 1 UNL1111111111 0.0541 15 C -1.1820 2.3260 1.2201 C.3 1 UNL1111111111 0.3269 16 C 0.7169 0.7753 0.3703 C.3 1 UNL1111111111 -0.2980 17 C -5.2580 1.4590 -1.2594 C.3 1 UNL1111111111 -0.0178 18 C 1.0078 -0.4246 -0.5410 C.3 1 UNL1111111111 -0.2852 19 C -0.3782 3.5930 0.9251 C.3 1 UNL1111111111 -0.4842 20 C -1.1239 1.9353 2.6962 C.3 1 UNL1111111111 -0.4876 21 C 2.4638 -0.7782 -0.4479 C.2 1 UNL1111111111 0.0358 22 C 3.3488 -0.2384 -1.2941 C.2 1 UNL1111111111 -0.2266 23 C 4.8130 -0.5290 -1.2786 C.3 1 UNL1111111111 -0.2670 24 C 2.8324 -1.7322 0.6353 C.3 1 UNL1111111111 -0.4560 25 C 5.5377 0.5117 -0.4186 C.3 1 UNL1111111111 -0.3202 26 C 7.0358 0.1960 -0.2230 C.3 1 UNL1111111111 0.3166 27 C 7.7892 0.0107 -1.5406 C.3 1 UNL1111111111 -0.5032 28 C 7.2253 -0.9385 0.7499 C.2 1 UNL1111111111 -0.1370 29 C 7.2155 -2.2287 0.4237 C.2 1 UNL1111111111 -0.3339 30 H -3.1441 -1.3905 1.7652 H 1 UNL1111111111 0.1609 31 H -1.9025 -0.8969 -1.0689 H 1 UNL1111111111 0.1327 32 H -4.3096 -2.6920 -0.8098 H 1 UNL1111111111 0.1514 33 H -5.5395 -0.3335 0.8520 H 1 UNL1111111111 0.1510 34 H -4.3301 -0.3620 -2.0536 H 1 UNL1111111111 0.1563 35 H -1.0444 1.3954 -0.7640 H 1 UNL1111111111 0.1397 36 H 1.3516 1.6348 0.0769 H 1 UNL1111111111 0.1554 37 H 0.9989 0.5352 1.4137 H 1 UNL1111111111 0.1576 38 H -5.0921 2.1502 -0.4120 H 1 UNL1111111111 0.1373 39 H -6.3445 1.3004 -1.4174 H 1 UNL1111111111 0.1701 40 H 0.3758 -1.2886 -0.2448 H 1 UNL1111111111 0.1530 41 H 0.7195 -0.1953 -1.5858 H 1 UNL1111111111 0.1429 42 H -0.3761 3.8272 -0.1449 H 1 UNL1111111111 0.1543 43 H -0.8424 4.4523 1.4310 H 1 UNL1111111111 0.1695 44 H 0.6545 3.5149 1.2736 H 1 UNL1111111111 0.1504 45 H -1.5916 2.7145 3.3116 H 1 UNL1111111111 0.1613 46 H -0.0976 1.7937 3.0432 H 1 UNL1111111111 0.1465 47 H -1.6776 1.0065 2.8815 H 1 UNL1111111111 0.1616 48 H -1.4870 -2.7730 1.1985 H 1 UNL1111111111 0.3313 49 H -4.7252 -3.7104 1.1972 H 1 UNL1111111111 0.3355 50 H -6.9179 -1.8892 -0.2912 H 1 UNL1111111111 0.3380 51 H -3.0135 1.8891 0.5797 H 1 UNL1111111111 0.3452 52 H 3.0386 0.4731 -2.0551 H 1 UNL1111111111 0.1461 53 H -3.8967 2.3481 -2.3761 H 1 UNL1111111111 0.3180 54 H 5.2142 -0.5241 -2.3117 H 1 UNL1111111111 0.1404 55 H 5.0114 -1.5503 -0.8914 H 1 UNL1111111111 0.1502 56 H 2.9656 -2.7449 0.2281 H 1 UNL1111111111 0.1566 57 H 3.7772 -1.4568 1.1274 H 1 UNL1111111111 0.1610 58 H 2.0699 -1.7933 1.4226 H 1 UNL1111111111 0.1521 59 H 5.4274 1.5169 -0.8652 H 1 UNL1111111111 0.1464 60 H 5.0551 0.5828 0.5801 H 1 UNL1111111111 0.1596 61 H 7.5406 -0.9405 -2.0193 H 1 UNL1111111111 0.1604 62 H 7.5597 0.8074 -2.2555 H 1 UNL1111111111 0.1502 63 H 8.8732 0.0100 -1.3657 H 1 UNL1111111111 0.1646 64 H 7.3713 -0.5976 1.7794 H 1 UNL1111111111 0.1661 65 H 7.7790 2.0502 -0.1354 H 1 UNL1111111111 0.3183 66 H 7.3404 -3.0198 1.1476 H 1 UNL1111111111 0.1478 67 H 7.0921 -2.6042 -0.5794 H 1 UNL1111111111 0.1436 @BOND 1 1 10 1 2 1 13 1 3 2 10 1 4 2 14 1 5 3 9 1 6 3 48 1 7 4 11 1 8 4 49 1 9 5 12 1 10 5 50 1 11 6 15 1 12 6 51 1 13 7 17 1 14 7 53 1 15 8 26 1 16 8 65 1 17 9 10 1 18 9 11 1 19 9 30 1 20 10 31 1 21 11 12 1 22 11 32 1 23 12 13 1 24 12 33 1 25 13 17 1 26 13 34 1 27 14 15 1 28 14 16 1 29 14 35 1 30 15 19 1 31 15 20 1 32 16 18 1 33 16 36 1 34 16 37 1 35 17 38 1 36 17 39 1 37 18 21 1 38 18 40 1 39 18 41 1 40 19 42 1 41 19 43 1 42 19 44 1 43 20 45 1 44 20 46 1 45 20 47 1 46 21 22 2 47 21 24 1 48 22 23 1 49 22 52 1 50 23 25 1 51 23 54 1 52 23 55 1 53 24 56 1 54 24 57 1 55 24 58 1 56 25 26 1 57 25 59 1 58 25 60 1 59 26 27 1 60 26 28 1 61 27 61 1 62 27 62 1 63 27 63 1 64 28 29 2 65 28 64 1 66 29 66 1 67 29 67 1