@MOLECULE (2r)-4-amino-n-{(1r,2s,3r,4r,5s)-5-amino-2-{2-[(2-aminoethyl)amino]ethoxy}-4-[(2,6-diamino-2,6-dideoxy-alpha-d-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide 78 79 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.8002 -1.1707 0.4299 C.3 1 UNL1111111111 0.2631 2 C 1.0081 0.8507 -0.5226 C.3 1 UNL1111111111 0.0769 3 C -4.8626 -1.9102 -0.4273 C.3 1 UNL1111111111 -0.0813 4 C -0.1014 1.8922 -0.3226 C.3 1 UNL1111111111 -0.3332 5 C 2.9071 2.4227 -0.6375 C.2 1 UNL1111111111 0.5234 6 C 4.2688 2.8441 -0.0705 C.3 1 UNL1111111111 0.0731 7 C 5.3038 1.7208 -0.1776 C.3 1 UNL1111111111 -0.3247 8 C 6.6252 2.1864 0.4581 C.3 1 UNL1111111111 -0.0768 9 C 2.0495 -2.2559 0.9484 C.3 1 UNL1111111111 -0.0488 10 C 3.1765 -3.0751 0.3050 C.3 1 UNL1111111111 -0.1347 11 C -5.9092 -0.9166 -0.9794 C.3 1 UNL1111111111 0.0920 12 C -1.4616 1.3273 -0.7678 C.3 1 UNL1111111111 0.0282 13 C 6.8662 -2.3903 0.0012 C.3 1 UNL1111111111 -0.1124 14 C 5.5937 -3.2695 0.0445 C.3 1 UNL1111111111 -0.1168 15 O -2.9822 -0.4855 -0.4977 O.3 1 UNL1111111111 -0.4844 16 N -4.2805 -2.6425 -1.5639 N.3 1 UNL1111111111 -0.6294 17 O -7.0565 -1.6200 -1.4068 O.3 1 UNL1111111111 -0.5673 18 C -6.4228 0.0300 0.1274 C.3 1 UNL1111111111 0.0723 19 O -7.1586 1.0804 -0.4624 O.3 1 UNL1111111111 -0.5519 20 C -5.2083 0.7132 0.7756 C.3 1 UNL1111111111 0.0400 21 O -4.3802 -0.2935 1.3415 O.3 1 UNL1111111111 -0.4342 22 C -5.5373 1.6304 1.9657 C.3 1 UNL1111111111 -0.1171 23 N -4.3365 2.3205 2.4756 N.3 1 UNL1111111111 -0.6214 24 N 2.2991 1.3535 -0.0223 N.am 1 UNL1111111111 -0.5854 25 N -2.4955 2.3500 -0.4882 N.3 1 UNL1111111111 -0.6610 26 C -1.7935 0.0605 0.0627 C.3 1 UNL1111111111 0.0532 27 C -0.6827 -0.9939 -0.1222 C.3 1 UNL1111111111 0.0533 28 O -0.9178 -2.0571 0.7859 O.3 1 UNL1111111111 -0.5532 29 C 0.6789 -0.4226 0.3024 C.3 1 UNL1111111111 0.0390 30 O 1.6942 -1.3284 -0.0728 O.3 1 UNL1111111111 -0.3931 31 N 4.4869 -2.4403 0.5704 N.3 1 UNL1111111111 -0.5474 32 N 8.0039 -3.2716 -0.3384 N.3 1 UNL1111111111 -0.6512 33 O 2.3695 3.0637 -1.5212 O.2 1 UNL1111111111 -0.5488 34 N 7.4555 1.0070 0.7984 N.3 1 UNL1111111111 -0.6621 35 O 4.7582 3.9612 -0.7726 O.3 1 UNL1111111111 -0.5489 36 H -3.2077 -1.8388 1.0935 H 1 UNL1111111111 0.1438 37 H 1.1040 0.5890 -1.6109 H 1 UNL1111111111 0.1578 38 H -5.3925 -2.6492 0.2348 H 1 UNL1111111111 0.1741 39 H 0.1382 2.8116 -0.9025 H 1 UNL1111111111 0.1893 40 H -0.1481 2.2269 0.7327 H 1 UNL1111111111 0.1731 41 H 4.1487 3.2041 0.9811 H 1 UNL1111111111 0.1568 42 H 4.9546 0.7973 0.3285 H 1 UNL1111111111 0.1679 43 H 5.4628 1.4444 -1.2369 H 1 UNL1111111111 0.1575 44 H 7.1358 2.9034 -0.2201 H 1 UNL1111111111 0.1253 45 H 6.4256 2.7326 1.4079 H 1 UNL1111111111 0.1429 46 H 1.1714 -2.8806 1.1946 H 1 UNL1111111111 0.1411 47 H 2.3761 -1.7094 1.8491 H 1 UNL1111111111 0.1199 48 H 3.0251 -3.0846 -0.8038 H 1 UNL1111111111 0.1696 49 H 3.1236 -4.1293 0.6476 H 1 UNL1111111111 0.1167 50 H -5.5162 -0.3425 -1.8493 H 1 UNL1111111111 0.1432 51 H -1.4289 1.0516 -1.8536 H 1 UNL1111111111 0.1299 52 H 6.9982 -1.8458 0.9604 H 1 UNL1111111111 0.1265 53 H 6.7495 -1.6215 -0.7932 H 1 UNL1111111111 0.1477 54 H 5.3525 -3.6092 -0.9871 H 1 UNL1111111111 0.1549 55 H 5.7744 -4.1851 0.6446 H 1 UNL1111111111 0.1149 56 H -3.7560 -2.0225 -2.1682 H 1 UNL1111111111 0.2638 57 H -3.6698 -3.3842 -1.2615 H 1 UNL1111111111 0.2490 58 H -6.7834 -2.4023 -1.9408 H 1 UNL1111111111 0.3450 59 H -7.0712 -0.4978 0.8568 H 1 UNL1111111111 0.1497 60 H -7.8546 0.7035 -1.0484 H 1 UNL1111111111 0.3390 61 H -4.6410 1.2728 -0.0026 H 1 UNL1111111111 0.1413 62 H -6.2774 2.3998 1.6417 H 1 UNL1111111111 0.1697 63 H -6.0078 1.0563 2.7914 H 1 UNL1111111111 0.1509 64 H -3.7475 1.6808 2.9895 H 1 UNL1111111111 0.2446 65 H -3.7763 2.6876 1.7138 H 1 UNL1111111111 0.2621 66 H 2.8579 0.6722 0.4869 H 1 UNL1111111111 0.3297 67 H -2.3063 3.2168 -0.9682 H 1 UNL1111111111 0.2618 68 H -3.4103 2.0109 -0.7596 H 1 UNL1111111111 0.2582 69 H -1.9518 0.3149 1.1337 H 1 UNL1111111111 0.1652 70 H -0.6536 -1.3892 -1.1591 H 1 UNL1111111111 0.1413 71 H -1.5104 -2.7173 0.3792 H 1 UNL1111111111 0.3133 72 H 0.6915 -0.2211 1.3965 H 1 UNL1111111111 0.1502 73 H 4.6139 -2.2574 1.5646 H 1 UNL1111111111 0.2504 74 H 8.8066 -2.7503 -0.6460 H 1 UNL1111111111 0.2490 75 H 8.2724 -3.8565 0.4348 H 1 UNL1111111111 0.2457 76 H 7.5757 0.3825 0.0206 H 1 UNL1111111111 0.2441 77 H 8.3608 1.2778 1.1439 H 1 UNL1111111111 0.2468 78 H 4.1794 4.1734 -1.5467 H 1 UNL1111111111 0.3472 @BOND 1 1 3 1 2 1 15 1 3 1 21 1 4 1 36 1 5 2 4 1 6 2 24 1 7 2 29 1 8 2 37 1 9 3 11 1 10 3 16 1 11 3 38 1 12 4 12 1 13 4 39 1 14 4 40 1 15 5 6 1 16 5 24 am 17 5 33 2 18 6 7 1 19 6 35 1 20 6 41 1 21 7 8 1 22 7 42 1 23 7 43 1 24 8 34 1 25 8 44 1 26 8 45 1 27 9 10 1 28 9 30 1 29 9 46 1 30 9 47 1 31 10 31 1 32 10 48 1 33 10 49 1 34 11 17 1 35 11 18 1 36 11 50 1 37 12 25 1 38 12 26 1 39 12 51 1 40 13 14 1 41 13 32 1 42 13 52 1 43 13 53 1 44 14 31 1 45 14 54 1 46 14 55 1 47 15 26 1 48 16 56 1 49 16 57 1 50 17 58 1 51 18 19 1 52 18 20 1 53 18 59 1 54 19 60 1 55 20 21 1 56 20 22 1 57 20 61 1 58 22 23 1 59 22 62 1 60 22 63 1 61 23 64 1 62 23 65 1 63 24 66 1 64 25 67 1 65 25 68 1 66 26 27 1 67 26 69 1 68 27 28 1 69 27 29 1 70 27 70 1 71 28 71 1 72 29 30 1 73 29 72 1 74 31 73 1 75 32 74 1 76 32 75 1 77 34 76 1 78 34 77 1 79 35 78 1