@MOLECULE (3s)-6-hydroxy-3-methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydro-8-tetraphenyl 6-deoxy-alpha-l-mannopyranoside 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2805 -1.2136 0.2983 O.3 1 UNL1111 -0.4269 2 O -2.3948 -0.2262 1.2445 O.3 1 UNL1111 -0.3975 3 O -4.8297 2.8696 -0.2588 O.3 1 UNL1111 -0.5436 4 O -4.6143 1.0698 -2.4762 O.3 1 UNL1111 -0.5505 5 O -5.6885 1.0654 1.5718 O.3 1 UNL1111 -0.5462 6 O 4.4171 -2.0991 0.3280 O.2 1 UNL1111 -0.4376 7 O 1.0382 3.2133 0.2377 O.3 1 UNL1111 -0.4607 8 O 2.4076 -2.1888 -1.4028 O.2 1 UNL1111 -0.3531 9 O -0.8602 1.4136 0.0151 O.2 1 UNL1111 -0.5026 10 C -4.1997 1.6196 -0.1552 C.3 1 UNL1111 0.0734 11 C -4.8466 0.6401 -1.1514 C.3 1 UNL1111 0.0505 12 C -4.3080 1.0605 1.2728 C.3 1 UNL1111 0.0338 13 C -4.1448 -0.7283 -1.0432 C.3 1 UNL1111 0.1224 14 C -3.8131 -0.4078 1.3137 C.3 1 UNL1111 0.2719 15 C 6.5489 0.5919 0.3017 C.3 1 UNL1111 -0.0534 16 C 5.6198 1.7814 -0.0018 C.3 1 UNL1111 -0.3254 17 C 4.1638 1.4416 0.0402 C.ar 1 UNL1111 0.1670 18 C 3.7188 0.1066 -0.0936 C.ar 1 UNL1111 -0.2396 19 C 6.1039 -0.6406 -0.4971 C.3 1 UNL1111 -0.3972 20 C 2.3628 -0.1619 -0.1870 C.ar 1 UNL1111 0.0592 21 C 4.7042 -0.9989 -0.0719 C.2 1 UNL1111 0.4960 22 C -4.8295 -1.7929 -1.8825 C.3 1 UNL1111 -0.4622 23 C 1.4080 0.8477 -0.0099 C.ar 1 UNL1111 -0.3642 24 C -0.3746 -0.8808 0.3275 C.ar 1 UNL1111 -0.2412 25 C 7.9960 0.9534 -0.0378 C.3 1 UNL1111 -0.4573 26 C 3.2407 2.4695 0.1458 C.ar 1 UNL1111 -0.3347 27 C -1.6099 -1.2568 0.8736 C.ar 1 UNL1111 0.3355 28 C 0.5437 -1.8958 0.0181 C.ar 1 UNL1111 -0.0381 29 C 1.8514 -1.5131 -0.5772 C.2 1 UNL1111 0.4302 30 C 1.8651 2.1708 0.1271 C.ar 1 UNL1111 0.4147 31 C -0.0242 0.5293 0.0910 C.2 1 UNL1111 0.5456 32 C -1.9383 -2.6082 1.0752 C.ar 1 UNL1111 -0.2631 33 C 0.2393 -3.2313 0.2190 C.ar 1 UNL1111 -0.1673 34 C -1.0108 -3.5833 0.7484 C.ar 1 UNL1111 -0.0631 35 H -3.1333 1.8418 -0.4210 H 1 UNL1111 0.1939 36 H -5.9450 0.5631 -1.0016 H 1 UNL1111 0.1482 37 H -3.7540 1.6961 1.9984 H 1 UNL1111 0.1558 38 H -3.0606 -0.6396 -1.2801 H 1 UNL1111 0.1471 39 H -4.0822 -0.9611 2.2372 H 1 UNL1111 0.1427 40 H 6.4832 0.3545 1.3936 H 1 UNL1111 0.1439 41 H 5.8520 2.1870 -1.0139 H 1 UNL1111 0.1716 42 H 5.8497 2.6114 0.6991 H 1 UNL1111 0.1625 43 H 6.7910 -1.4931 -0.3271 H 1 UNL1111 0.1742 44 H 6.1323 -0.4472 -1.5873 H 1 UNL1111 0.1739 45 H -4.9061 -1.4571 -2.9283 H 1 UNL1111 0.1768 46 H -4.2756 -2.7386 -1.8652 H 1 UNL1111 0.1543 47 H -5.8452 -2.0008 -1.5223 H 1 UNL1111 0.1608 48 H 8.3308 1.8355 0.5197 H 1 UNL1111 0.1465 49 H 8.6794 0.1332 0.2132 H 1 UNL1111 0.1512 50 H 8.1251 1.1686 -1.1046 H 1 UNL1111 0.1486 51 H 3.5485 3.5085 0.2414 H 1 UNL1111 0.1852 52 H -5.7160 2.8454 0.1685 H 1 UNL1111 0.3319 53 H -4.6830 2.0507 -2.5200 H 1 UNL1111 0.3358 54 H -5.8410 0.9774 2.5343 H 1 UNL1111 0.3236 55 H -2.9136 -2.8822 1.4716 H 1 UNL1111 0.1766 56 H 0.9669 -4.0033 -0.0396 H 1 UNL1111 0.1809 57 H -1.2508 -4.6366 0.9005 H 1 UNL1111 0.1557 58 H 0.0634 2.9105 0.1789 H 1 UNL1111 0.3837 @BOND 1 1 13 1 2 1 14 1 3 2 14 1 4 2 27 1 5 3 10 1 6 3 52 1 7 4 11 1 8 4 53 1 9 5 12 1 10 5 54 1 11 6 21 2 12 7 30 1 13 7 58 1 14 8 29 2 15 9 31 2 16 10 11 1 17 10 12 1 18 10 35 1 19 11 13 1 20 11 36 1 21 12 14 1 22 12 37 1 23 13 22 1 24 13 38 1 25 14 39 1 26 15 16 1 27 15 19 1 28 15 25 1 29 15 40 1 30 16 17 1 31 16 41 1 32 16 42 1 33 17 18 ar 34 17 26 ar 35 18 20 ar 36 18 21 1 37 19 21 1 38 19 43 1 39 19 44 1 40 20 23 ar 41 20 29 1 42 22 45 1 43 22 46 1 44 22 47 1 45 23 30 ar 46 23 31 1 47 24 27 ar 48 24 28 ar 49 24 31 1 50 25 48 1 51 25 49 1 52 25 50 1 53 26 30 ar 54 26 51 1 55 27 32 ar 56 28 29 1 57 28 33 ar 58 32 34 ar 59 32 55 1 60 33 34 ar 61 33 56 1 62 34 57 1