@MOLECULE (2r,3'r,3as,4s,4's,5'r,6r,6'r,7s,7as)-4-{[(1r,2s,3r,5s,6r)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1s)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4h-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol 73 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1240 -0.3014 0.1645 O.3 1 UNL11 -0.4752 2 O -2.4697 -1.9934 0.9374 O.3 1 UNL11 -0.3662 3 O -3.3643 0.0122 0.5192 O.3 1 UNL11 -0.4234 4 O 1.2695 -1.9625 0.4668 O.3 1 UNL11 -0.4776 5 O 1.3508 0.2680 0.4333 O.3 1 UNL11 -0.3744 6 O -1.0223 -3.9294 0.1238 O.3 1 UNL11 -0.5504 7 O -1.4846 -2.1025 -1.7983 O.3 1 UNL11 -0.5187 8 O -1.6632 0.6208 -2.5235 O.3 1 UNL11 -0.5432 9 O -5.1056 0.0520 -1.5897 O.3 1 UNL11 -0.5207 10 O 3.3143 -0.6751 -1.4244 O.3 1 UNL11 -0.5233 11 O 2.5886 1.5080 2.6459 O.3 1 UNL11 -0.5720 12 O 3.0141 -4.2614 0.4829 O.3 1 UNL11 -0.5513 13 O -5.6321 4.1537 0.6134 O.3 1 UNL11 -0.5437 14 N 4.9890 1.3805 -2.4540 N.3 1 UNL11 -0.5121 15 N 4.3309 3.6774 1.9763 N.3 1 UNL11 -0.6613 16 N -4.1035 2.1903 1.8879 N.3 1 UNL11 -0.6379 17 C -0.5613 -0.7060 1.4065 C.3 1 UNL11 0.0188 18 C -1.2690 -2.0524 1.7072 C.3 1 UNL11 0.0051 19 C -2.4073 -0.8934 0.0604 C.3 1 UNL11 0.5307 20 C 0.9579 -0.8096 1.2316 C.3 1 UNL11 0.2912 21 C -0.5349 -3.3609 1.2989 C.3 1 UNL11 0.0870 22 C -2.6052 -1.3522 -1.3980 C.3 1 UNL11 0.0249 23 C 0.9916 -3.1648 1.1655 C.3 1 UNL11 0.0160 24 C 2.7487 0.5501 0.5240 C.3 1 UNL11 0.0030 25 C -2.8213 -0.1524 -2.3303 C.3 1 UNL11 0.0671 26 C -3.4846 1.1760 -0.2977 C.3 1 UNL11 0.0406 27 C -3.9047 0.7790 -1.7201 C.3 1 UNL11 0.0474 28 C 3.2118 0.6501 -0.9453 C.3 1 UNL11 0.1056 29 C 2.8634 1.8615 1.3073 C.3 1 UNL11 0.1116 30 C 4.6408 1.2451 -1.0342 C.3 1 UNL11 0.0416 31 C 4.3057 2.4228 1.2005 C.3 1 UNL11 -0.0044 32 C 4.6859 2.5970 -0.2772 C.3 1 UNL11 -0.4061 33 CA -4.5322 1.9987 0.4841 C.3 1 UNL11 -0.0214 34 C 1.6205 -4.2442 0.2706 C.3 1 UNL11 0.0040 35 C -4.7112 3.4010 -0.1407 C.3 1 UNL11 -0.0092 36 C 6.4366 1.5338 -2.6804 C.3 1 UNL11 -0.2668 37 H -0.8225 0.0798 2.1489 H 1 UNL11 0.1545 38 H -1.6111 -2.1128 2.7625 H 1 UNL11 0.1561 39 H 1.4966 -0.8288 2.2074 H 1 UNL11 0.1415 40 H -0.7541 -4.1588 2.0499 H 1 UNL11 0.1526 41 H -3.4563 -2.0786 -1.4572 H 1 UNL11 0.1983 42 H 1.4875 -3.1449 2.1619 H 1 UNL11 0.1373 43 H 3.2993 -0.2696 1.0415 H 1 UNL11 0.1608 44 H -3.0857 -0.4876 -3.3606 H 1 UNL11 0.1658 45 H -2.4990 1.7027 -0.3290 H 1 UNL11 0.1497 46 H -4.0563 1.6737 -2.3608 H 1 UNL11 0.1431 47 H 2.4822 1.2060 -1.5715 H 1 UNL11 0.1385 48 H 2.0938 2.6005 0.9992 H 1 UNL11 0.1418 49 H 5.3513 0.5149 -0.5644 H 1 UNL11 0.1594 50 H 5.0084 1.6997 1.6930 H 1 UNL11 0.1564 51 H 5.7019 3.0238 -0.3557 H 1 UNL11 0.1516 52 H 4.0126 3.3237 -0.7663 H 1 UNL11 0.1506 53 HA -5.5183 1.4616 0.4728 H 1 UNL11 0.1815 54 H 1.2905 -5.2640 0.5483 H 1 UNL11 0.1581 55 H 1.4048 -4.0639 -0.7976 H 1 UNL11 0.1416 56 H -1.2370 -3.2576 -0.5690 H 1 UNL11 0.3545 57 H -0.6400 -1.6321 -1.5675 H 1 UNL11 0.3423 58 H 4.4595 2.1170 -2.9099 H 1 UNL11 0.2554 59 H -0.9975 0.4815 -1.8163 H 1 UNL11 0.3365 60 H1 -5.1682 3.3538 -1.1446 H 1 UNL11 0.1344 61 H2 -3.7600 3.9601 -0.1803 H 1 UNL11 0.1178 62 H 5.2638 3.9552 2.2300 H 1 UNL11 0.2575 63 H 3.8797 4.4388 1.4963 H 1 UNL11 0.2552 64 H -5.5796 0.0092 -2.4475 H 1 UNL11 0.3153 65 H 2.4519 -1.1323 -1.2829 H 1 UNL11 0.3251 66 H 2.8986 2.2311 3.2423 H 1 UNL11 0.3455 67 H1 -3.1012 2.2792 1.9643 H 1 UNL11 0.2499 68 H2 -4.3809 1.4035 2.4589 H 1 UNL11 0.2609 69 H 6.8643 2.4751 -2.3075 H 1 UNL11 0.1078 70 H 6.9774 0.6937 -2.2122 H 1 UNL11 0.1509 71 H 6.6232 1.4674 -3.7671 H 1 UNL11 0.1499 72 H 3.4098 -3.4160 0.1691 H 1 UNL11 0.3266 73 H -5.4327 4.0352 1.5751 H 1 UNL11 0.3395 @BOND 1 1 17 1 2 1 19 1 3 2 18 1 4 2 19 1 5 3 19 1 6 3 26 1 7 4 20 1 8 4 23 1 9 5 20 1 10 5 24 1 11 6 21 1 12 6 56 1 13 7 22 1 14 7 57 1 15 8 25 1 16 8 59 1 17 9 27 1 18 9 64 1 19 10 28 1 20 10 65 1 21 11 29 1 22 11 66 1 23 12 34 1 24 12 72 1 25 13 35 1 26 13 73 1 27 14 30 1 28 14 36 1 29 14 58 1 30 15 31 1 31 15 62 1 32 15 63 1 33 16 33 1 34 16 67 1 35 16 68 1 36 17 18 1 37 17 37 1 38 18 21 1 39 18 38 1 40 19 22 1 41 20 17 1 42 20 39 1 43 21 23 1 44 21 40 1 45 22 25 1 46 22 41 1 47 23 34 1 48 23 42 1 49 24 28 1 50 24 43 1 51 25 27 1 52 25 44 1 53 26 27 1 54 26 33 1 55 26 45 1 56 27 46 1 57 28 30 1 58 28 47 1 59 29 24 1 60 29 48 1 61 30 32 1 62 30 49 1 63 31 29 1 64 31 32 1 65 31 50 1 66 32 51 1 67 32 52 1 68 33 35 1 69 33 53 1 70 34 54 1 71 34 55 1 72 35 60 1 73 35 61 1 74 36 69 1 75 36 70 1 76 36 71 1