@MOLECULE (2s)-4-amino-n-{(1r,2s,3s,4r,5s)-5-amino-2-[(2,3-diamino-2,3-dideoxy-alpha-d-glucopyranosyl)oxy]-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-d-erythro-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide 83 85 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.4453 -0.0847 0.1406 C.3 1 UNL1 0.0616 2 C 0.9505 -0.3983 0.7225 C.3 1 UNL1 0.0871 3 C 1.8825 0.8003 0.4295 C.3 1 UNL1 0.0395 4 C -1.0085 1.1802 0.8530 C.3 1 UNL1 0.0446 5 C -2.2121 -1.5898 -0.4414 C.3 1 UNL1 0.2687 6 C 1.3639 2.0355 1.2052 C.3 1 UNL1 0.0333 7 C -3.1696 -2.5032 0.3624 C.3 1 UNL1 -0.0368 8 C -2.4343 -3.7991 0.7865 C.3 1 UNL1 0.0210 9 C -1.6790 -4.4347 -0.4080 C.3 1 UNL1 0.0845 10 C -0.8686 -3.4048 -1.2140 C.3 1 UNL1 -0.0050 11 C 4.0253 -0.1582 0.0511 C.3 1 UNL1 0.3126 12 C 5.2015 -0.6850 0.9102 C.3 1 UNL1 -0.0097 13 C 5.2373 1.8114 -0.5575 C.3 1 UNL1 0.0779 14 C -4.5647 2.5617 0.3544 C.3 1 UNL1 0.0654 15 C -0.4707 -3.9434 -2.5972 C.3 1 UNL1 -0.0278 16 C 5.4814 2.5380 -1.8975 C.3 1 UNL1 -0.1342 17 C -4.3686 3.5808 -0.7687 C.3 1 UNL1 -0.3280 18 C -5.6989 3.7887 -1.5187 C.3 1 UNL1 -0.0847 19 H 2.1405 -1.9606 0.5573 H 1 UNL1 0.3435 20 H 0.0219 -5.4760 -0.3345 H 1 UNL1 0.3249 21 H 1.2132 -2.9033 -2.5081 H 1 UNL1 0.3294 22 H -4.9800 3.5451 2.0300 H 1 UNL1 0.3410 23 H -2.4073 1.4581 -0.7261 H 1 UNL1 0.3106 24 H 2.1549 3.9148 1.6093 H 1 UNL1 0.2574 25 H 3.1950 2.9068 0.8230 H 1 UNL1 0.2583 26 H -2.9785 -1.7373 2.2750 H 1 UNL1 0.2553 27 H -4.0027 -0.8831 1.3501 H 1 UNL1 0.2521 28 H -3.0410 -5.5759 1.6680 H 1 UNL1 0.2614 29 H -4.1311 -4.3433 1.8387 H 1 UNL1 0.2688 30 H 5.3217 -1.9004 2.5852 H 1 UNL1 0.2553 31 H 3.9854 -0.9411 2.5610 H 1 UNL1 0.2611 32 H 3.5882 2.3797 -2.6851 H 1 UNL1 0.2529 33 H 3.7762 3.7069 -1.7639 H 1 UNL1 0.2485 34 H -6.1896 4.4402 -3.4295 H 1 UNL1 0.2496 35 H -5.0912 5.3984 -2.6856 H 1 UNL1 0.2476 36 O -3.0171 2.5070 2.1926 O.2 1 UNL1 -0.5189 37 C -0.0491 2.3725 0.6969 C.3 1 UNL1 -0.3353 38 C 6.0853 0.4918 1.3703 C.3 1 UNL1 -0.3200 39 C 6.5006 1.3217 0.1497 C.3 1 UNL1 -0.3215 40 O 1.4242 -1.5300 0.0274 O.3 1 UNL1 -0.5603 41 O -0.7853 -5.3529 0.2039 O.3 1 UNL1 -0.5643 42 O 0.9106 -3.7803 -2.8270 O.3 1 UNL1 -0.5535 43 O -5.4592 3.0679 1.3086 O.3 1 UNL1 -0.5281 44 C -3.2319 2.2224 1.0328 C.2 1 UNL1 0.5175 45 O -1.2567 -1.1809 0.5099 O.3 1 UNL1 -0.4387 46 O 3.1676 0.5218 0.9542 O.3 1 UNL1 -0.4777 47 O -1.6406 -2.2551 -1.5234 O.3 1 UNL1 -0.4448 48 O 4.4457 0.7006 -0.9595 O.3 1 UNL1 -0.4556 49 N 2.2309 3.1984 0.9058 N.3 1 UNL1 -0.6627 50 N -3.6926 -1.8190 1.5621 N.3 1 UNL1 -0.6250 51 N -3.4592 -4.7758 1.2189 N.3 1 UNL1 -0.6571 52 N 4.6158 -1.4914 1.9950 N.3 1 UNL1 -0.6443 53 N 4.2374 3.1159 -2.4408 N.3 1 UNL1 -0.6159 54 N -5.3982 4.4482 -2.8089 N.3 1 UNL1 -0.6547 55 N -2.3177 1.5162 0.2759 N.am 1 UNL1 -0.6102 56 H -0.3965 0.0240 -0.9626 H 1 UNL1 0.1493 57 H 0.8983 -0.6350 1.8080 H 1 UNL1 0.1445 58 H 1.9555 1.0090 -0.6606 H 1 UNL1 0.1567 59 H -1.1562 0.9489 1.9471 H 1 UNL1 0.1779 60 H -2.7148 -0.7329 -0.9353 H 1 UNL1 0.1267 61 H 1.3411 1.8041 2.3007 H 1 UNL1 0.1323 62 H 0.0062 2.7092 -0.3569 H 1 UNL1 0.1677 63 H -0.4463 3.2455 1.2555 H 1 UNL1 0.1727 64 H -4.0403 -2.7725 -0.2956 H 1 UNL1 0.1787 65 H -1.6880 -3.5673 1.5914 H 1 UNL1 0.1428 66 H -2.3772 -5.0278 -1.0413 H 1 UNL1 0.1551 67 H 0.0251 -3.0682 -0.6282 H 1 UNL1 0.1849 68 H 3.4937 -0.9510 -0.5225 H 1 UNL1 0.1583 69 H 5.8143 -1.3741 0.2672 H 1 UNL1 0.1612 70 H -0.6186 -5.0354 -2.6981 H 1 UNL1 0.1476 71 H -1.0252 -3.4266 -3.4056 H 1 UNL1 0.1439 72 H 4.6273 2.4431 0.1278 H 1 UNL1 0.1176 73 H -5.0731 1.6327 -0.0032 H 1 UNL1 0.1623 74 H 5.5377 1.1207 2.0969 H 1 UNL1 0.1488 75 H 6.9788 0.1183 1.9018 H 1 UNL1 0.1470 76 H 7.1181 0.7113 -0.5361 H 1 UNL1 0.1590 77 H 7.1355 2.1738 0.4525 H 1 UNL1 0.1516 78 H 6.2324 3.3450 -1.7707 H 1 UNL1 0.1497 79 H 5.8911 1.8263 -2.6502 H 1 UNL1 0.1610 80 H -4.0096 4.5443 -0.3610 H 1 UNL1 0.1552 81 H -3.5960 3.2486 -1.4898 H 1 UNL1 0.1634 82 H -6.1801 2.8092 -1.7343 H 1 UNL1 0.1406 83 H -6.4092 4.3579 -0.8813 H 1 UNL1 0.1268 @BOND 1 34 54 1 2 71 15 1 3 42 15 1 4 42 21 1 5 54 35 1 6 54 18 1 7 70 15 1 8 32 53 1 9 79 16 1 10 15 10 1 11 53 16 1 12 53 33 1 13 16 78 1 14 16 13 1 15 82 18 1 16 47 10 1 17 47 5 1 18 18 83 1 19 18 17 1 20 81 17 1 21 10 67 1 22 10 9 1 23 66 9 1 24 56 1 1 25 48 13 1 26 48 11 1 27 60 5 1 28 17 80 1 29 17 14 1 30 23 55 1 31 58 3 1 32 13 72 1 33 13 39 1 34 76 39 1 35 68 11 1 36 5 7 1 37 5 45 1 38 9 41 1 39 9 8 1 40 62 37 1 41 20 41 1 42 64 7 1 43 73 14 1 44 40 19 1 45 40 2 1 46 11 12 1 47 11 46 1 48 1 45 1 49 1 2 1 50 1 4 1 51 39 77 1 52 39 38 1 53 69 12 1 54 55 4 1 55 55 44 am 56 14 44 1 57 14 43 1 58 7 8 1 59 7 50 1 60 3 2 1 61 3 46 1 62 3 6 1 63 37 4 1 64 37 6 1 65 37 63 1 66 2 57 1 67 8 51 1 68 8 65 1 69 25 49 1 70 4 59 1 71 49 6 1 72 49 24 1 73 12 38 1 74 12 52 1 75 44 36 2 76 6 61 1 77 51 28 1 78 51 29 1 79 43 22 1 80 27 50 1 81 38 75 1 82 38 74 1 83 50 26 1 84 52 31 1 85 52 30 1