@MOLECULE (1s,2r,3r,4s,6r)-4,6-diamino-3-{[(2s,3r)-3-amino-6-(aminomethyl)-3,4-dihydro-2h-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-c-methyl-3-(methylamino)-beta-l-threo-pentopyranoside 68 70 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.0867 1.8520 0.4522 O.3 1 UNL11111111 -0.4196 2 O 1.8804 -0.4398 0.8105 O.3 1 UNL11111111 -0.4261 3 O -1.3394 1.2704 -1.2124 O.3 1 UNL11111111 -0.4307 4 O 2.2815 1.3177 -2.3418 O.3 1 UNL11111111 -0.5760 5 O -1.3153 -0.2424 1.3171 O.3 1 UNL11111111 -0.5584 6 O -4.7852 0.1545 -1.2573 O.3 1 UNL11111111 -0.5804 7 O 0.9504 -2.0220 -0.4847 O.2 1 UNL11111111 -0.4011 8 N 2.8474 3.8935 -0.7999 N.3 1 UNL11111111 -0.6699 9 N 4.6715 1.4932 -0.4427 N.3 1 UNL11111111 -0.6747 10 N -4.3391 1.7907 0.8521 N.3 1 UNL11111111 -0.5537 11 N 1.9263 -2.1021 3.1510 N.3 1 UNL11111111 -0.6400 12 N 0.3663 -4.4633 -2.6385 N.3 1 UNL11111111 -0.6310 13 C 1.0079 2.2238 -0.5636 C.3 1 UNL11111111 0.0411 14 C 2.6153 0.2016 -0.2283 C.3 1 UNL11111111 0.0474 15 C 1.6252 0.9358 -1.1459 C.3 1 UNL11111111 0.0966 16 C 2.0161 3.1454 0.1711 C.3 1 UNL11111111 0.0385 17 C 3.6091 1.1250 0.5245 C.3 1 UNL11111111 0.0338 18 C 2.8937 2.3355 1.1428 C.3 1 UNL11111111 -0.3212 19 C -1.2660 1.8610 0.0709 C.3 1 UNL11111111 0.2471 20 C -3.4148 0.6478 0.7134 C.3 1 UNL11111111 -0.0650 21 C -1.9635 0.9895 1.1398 C.3 1 UNL11111111 0.0611 22 C -3.4618 0.1626 -0.7701 C.3 1 UNL11111111 0.2933 23 C -2.6614 1.1166 -1.6855 C.3 1 UNL11111111 -0.0793 24 C 1.7706 -1.8285 0.6700 C.3 1 UNL11111111 0.2478 25 C -2.9697 -1.2745 -0.8984 C.3 1 UNL11111111 -0.4696 26 C 1.0822 -2.3229 1.9692 C.3 1 UNL11111111 0.0017 27 C 0.7700 -3.8197 1.7877 C.3 1 UNL11111111 -0.2607 28 C -4.8742 1.9350 2.2191 C.3 1 UNL11111111 -0.2661 29 C 0.2786 -3.2003 -0.5585 C.2 1 UNL11111111 0.2490 30 C 0.1499 -4.0660 0.4560 C.2 1 UNL11111111 -0.3510 31 C -0.2951 -3.3356 -1.9428 C.3 1 UNL11111111 -0.1267 32 H 0.5015 2.7809 -1.3857 H 1 UNL11111111 0.1468 33 H 3.1848 -0.5433 -0.8372 H 1 UNL11111111 0.1560 34 H 0.8102 0.2418 -1.4761 H 1 UNL11111111 0.1790 35 H 1.4311 3.8805 0.7878 H 1 UNL11111111 0.1396 36 H 4.0557 0.5199 1.3584 H 1 UNL11111111 0.1312 37 H 2.2369 1.9701 1.9628 H 1 UNL11111111 0.1640 38 H 3.6363 3.0128 1.6071 H 1 UNL11111111 0.1529 39 H -1.6335 2.9054 0.0160 H 1 UNL11111111 0.1047 40 H -3.7724 -0.1986 1.3595 H 1 UNL11111111 0.1751 41 H -1.9377 1.4932 2.1327 H 1 UNL11111111 0.1367 42 H -3.1541 2.0960 -1.7892 H 1 UNL11111111 0.1209 43 H -2.5058 0.6826 -2.6913 H 1 UNL11111111 0.1630 44 H 2.4860 4.8156 -0.9774 H 1 UNL11111111 0.2519 45 H 2.9130 3.3961 -1.6802 H 1 UNL11111111 0.2690 46 H 5.5915 1.3171 -0.0751 H 1 UNL11111111 0.2516 47 H 4.6085 2.4744 -0.6876 H 1 UNL11111111 0.2798 48 H 2.7472 -2.3042 0.4511 H 1 UNL11111111 0.1240 49 H 3.2606 1.2915 -2.2234 H 1 UNL11111111 0.3451 50 H -1.8924 -1.3352 -0.6802 H 1 UNL11111111 0.1785 51 H -3.4907 -1.9412 -0.2020 H 1 UNL11111111 0.1557 52 H -3.1521 -1.6550 -1.9102 H 1 UNL11111111 0.1537 53 H -3.9124 2.6578 0.5337 H 1 UNL11111111 0.2554 54 H 0.1204 -1.7605 2.1301 H 1 UNL11111111 0.1870 55 H -0.4058 -0.2251 0.9150 H 1 UNL11111111 0.3619 56 H -5.3423 0.8049 -0.7697 H 1 UNL11111111 0.3463 57 H 1.6859 -4.4345 1.9066 H 1 UNL11111111 0.1483 58 H 0.0959 -4.1478 2.6080 H 1 UNL11111111 0.1646 59 H -4.1066 2.0847 2.9938 H 1 UNL11111111 0.1242 60 H -5.4583 1.0355 2.4816 H 1 UNL11111111 0.1526 61 H -5.5681 2.7923 2.2413 H 1 UNL11111111 0.1463 62 H -0.4106 -4.9866 0.3590 H 1 UNL11111111 0.1612 63 H 2.8150 -2.5686 3.0894 H 1 UNL11111111 0.2459 64 H 2.0750 -1.1166 3.3091 H 1 UNL11111111 0.2627 65 H -1.4024 -3.4386 -1.8817 H 1 UNL11111111 0.1316 66 H -0.0856 -2.4071 -2.5369 H 1 UNL11111111 0.1799 67 H 0.3590 -5.3048 -2.0871 H 1 UNL11111111 0.2477 68 H -0.0605 -4.6475 -3.5306 H 1 UNL11111111 0.2489 @BOND 1 68 12 1 2 43 23 1 3 12 67 1 4 12 31 1 5 66 31 1 6 4 49 1 7 4 15 1 8 31 65 1 9 31 29 1 10 52 25 1 11 42 23 1 12 23 3 1 13 23 22 1 14 45 8 1 15 34 15 1 16 32 13 1 17 6 22 1 18 6 56 1 19 3 19 1 20 15 13 1 21 15 14 1 22 44 8 1 23 25 22 1 24 25 50 1 25 25 51 1 26 33 14 1 27 8 16 1 28 22 20 1 29 47 9 1 30 13 16 1 31 13 1 1 32 29 7 1 33 29 30 2 34 7 24 1 35 9 46 1 36 9 17 1 37 14 17 1 38 14 2 1 39 39 19 1 40 19 1 1 41 19 21 1 42 16 35 1 43 16 18 1 44 62 30 1 45 48 24 1 46 30 27 1 47 17 18 1 48 17 36 1 49 53 10 1 50 24 2 1 51 24 26 1 52 20 10 1 53 20 21 1 54 20 40 1 55 10 28 1 56 55 5 1 57 21 5 1 58 21 41 1 59 18 38 1 60 18 37 1 61 27 57 1 62 27 26 1 63 27 58 1 64 26 54 1 65 26 11 1 66 28 61 1 67 28 60 1 68 28 59 1 69 63 11 1 70 11 64 1