@MOLECULE 1-o-acetyl-2,3,5-tri-o-benzoyl-b-l-ribofuranose 61 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1139 0.2759 1.2366 O.3 1 UNL1111111111 -0.3971 2 O 0.0655 -0.0590 -0.2719 O.3 1 UNL1111111111 -0.4330 3 O 1.7177 -1.9932 -0.1564 O.3 1 UNL1111111111 -0.4189 4 O 4.3823 0.2173 -0.6642 O.3 1 UNL1111111111 -0.5053 5 O 0.8398 3.0031 0.5293 O.3 1 UNL1111111111 -0.4233 6 O -0.6004 0.9990 -2.1513 O.2 1 UNL1111111111 -0.4754 7 O 0.5387 -2.3327 -2.0442 O.2 1 UNL1111111111 -0.4903 8 O 6.2135 -0.3882 0.4923 O.2 1 UNL1111111111 -0.4896 9 O -0.1368 2.5980 2.5124 O.2 1 UNL1111111111 -0.5003 10 C 1.3953 0.3930 -0.4356 C.3 1 UNL1111111111 0.0506 11 C 2.3035 -0.8314 -0.7180 C.3 1 UNL1111111111 0.0351 12 C 1.8595 0.8891 0.9525 C.3 1 UNL1111111111 0.0422 13 C 3.5307 -0.5490 0.1798 C.3 1 UNL1111111111 0.3111 14 C 2.0453 2.4094 0.9996 C.3 1 UNL1111111111 -0.0513 15 C -0.8701 0.3236 -1.1951 C.2 1 UNL1111111111 0.6150 16 C 0.6638 -2.5188 -0.8618 C.2 1 UNL1111111111 0.6252 17 C 5.7108 0.2887 -0.3612 C.2 1 UNL1111111111 0.6559 18 C -2.1802 -0.2103 -0.7885 C.ar 1 UNL1111111111 -0.1446 19 C -0.2452 2.9135 1.3540 C.2 1 UNL1111111111 0.6075 20 C -0.2223 -3.2966 0.0173 C.ar 1 UNL1111111111 -0.1468 21 C 6.3629 1.2802 -1.2601 C.3 1 UNL1111111111 -0.5108 22 C -1.4911 3.1970 0.6253 C.ar 1 UNL1111111111 -0.1638 23 C -2.4620 -0.4710 0.5533 C.ar 1 UNL1111111111 -0.0737 24 C -3.1386 -0.4334 -1.7783 C.ar 1 UNL1111111111 -0.0736 25 C -1.2302 -4.0567 -0.5819 C.ar 1 UNL1111111111 -0.0785 26 C -0.1166 -3.2219 1.4069 C.ar 1 UNL1111111111 -0.0630 27 C -3.7181 -0.9579 0.9060 C.ar 1 UNL1111111111 -0.1731 28 C -4.3904 -0.9249 -1.4182 C.ar 1 UNL1111111111 -0.1774 29 C -2.1412 -4.7409 0.2174 C.ar 1 UNL1111111111 -0.1795 30 C -1.0327 -3.9089 2.2004 C.ar 1 UNL1111111111 -0.1837 31 C -1.4954 3.4761 -0.7422 C.ar 1 UNL1111111111 -0.0594 32 C -2.6917 3.1095 1.3368 C.ar 1 UNL1111111111 -0.0771 33 C -4.6784 -1.1855 -0.0788 C.ar 1 UNL1111111111 -0.1036 34 C -2.0434 -4.6635 1.6066 C.ar 1 UNL1111111111 -0.1000 35 C -2.7098 3.6568 -1.4014 C.ar 1 UNL1111111111 -0.1747 36 C -3.9006 3.2852 0.6711 C.ar 1 UNL1111111111 -0.1838 37 C -3.9084 3.5545 -0.6979 C.ar 1 UNL1111111111 -0.0956 38 H 1.4704 1.1659 -1.2310 H 1 UNL1111111111 0.1780 39 H 2.5415 -0.9840 -1.7884 H 1 UNL1111111111 0.1777 40 H 1.1797 0.5362 1.7653 H 1 UNL1111111111 0.1771 41 H 4.0516 -1.4099 0.6396 H 1 UNL1111111111 0.1761 42 H 2.2917 2.7659 2.0156 H 1 UNL1111111111 0.1569 43 H 2.7987 2.7778 0.2805 H 1 UNL1111111111 0.1556 44 H 5.7428 1.5333 -2.1350 H 1 UNL1111111111 0.1887 45 H 7.3302 0.9002 -1.6245 H 1 UNL1111111111 0.1834 46 H 6.5625 2.2175 -0.7152 H 1 UNL1111111111 0.1860 47 H -1.7058 -0.2944 1.3217 H 1 UNL1111111111 0.1725 48 H -2.9009 -0.2221 -2.8235 H 1 UNL1111111111 0.1716 49 H -1.3040 -4.1000 -1.6715 H 1 UNL1111111111 0.1712 50 H 0.6725 -2.6221 1.8682 H 1 UNL1111111111 0.1771 51 H -3.9462 -1.1622 1.9503 H 1 UNL1111111111 0.1567 52 H -5.1439 -1.1040 -2.1825 H 1 UNL1111111111 0.1557 53 H -2.9310 -5.3310 -0.2422 H 1 UNL1111111111 0.1549 54 H -0.9595 -3.8533 3.2849 H 1 UNL1111111111 0.1570 55 H -0.5565 3.5340 -1.3007 H 1 UNL1111111111 0.1793 56 H -2.6731 2.8956 2.4084 H 1 UNL1111111111 0.1708 57 H -5.6588 -1.5693 0.1996 H 1 UNL1111111111 0.1472 58 H -2.7614 -5.1947 2.2298 H 1 UNL1111111111 0.1472 59 H -2.7183 3.8639 -2.4705 H 1 UNL1111111111 0.1609 60 H -4.8387 3.2068 1.2160 H 1 UNL1111111111 0.1545 61 H -4.8564 3.6827 -1.2188 H 1 UNL1111111111 0.1481 @BOND 1 1 12 1 2 1 13 1 3 2 10 1 4 2 15 1 5 3 11 1 6 3 16 1 7 4 13 1 8 4 17 1 9 5 14 1 10 5 19 1 11 6 15 2 12 7 16 2 13 8 17 2 14 9 19 2 15 10 11 1 16 10 12 1 17 10 38 1 18 11 13 1 19 11 39 1 20 12 14 1 21 12 40 1 22 13 41 1 23 14 42 1 24 14 43 1 25 15 18 1 26 16 20 1 27 17 21 1 28 18 23 ar 29 18 24 ar 30 19 22 1 31 20 25 ar 32 20 26 ar 33 21 44 1 34 21 45 1 35 21 46 1 36 22 31 ar 37 22 32 ar 38 23 27 ar 39 23 47 1 40 24 28 ar 41 24 48 1 42 25 29 ar 43 25 49 1 44 26 30 ar 45 26 50 1 46 27 33 ar 47 27 51 1 48 28 33 ar 49 28 52 1 50 29 34 ar 51 29 53 1 52 30 34 ar 53 30 54 1 54 31 35 ar 55 31 55 1 56 32 36 ar 57 32 56 1 58 33 57 1 59 34 58 1 60 35 37 ar 61 35 59 1 62 36 37 ar 63 36 60 1 64 37 61 1