@MOLECULE n~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-l-lysyl-d-alanyl-d-alanine 59 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2957 2.7761 -0.5637 O.3 1 UNL1111111111 -0.4683 2 O 0.1483 -0.8284 -1.4414 O.2 1 UNL1111111111 -0.5288 3 O -1.4117 1.7569 1.2875 O.2 1 UNL1111111111 -0.5725 4 O 2.6190 -0.3039 1.6175 O.2 1 UNL1111111111 -0.5168 5 O 6.2810 -1.4565 -0.9269 O.3 1 UNL1111111111 -0.5709 6 OXT 7.2786 0.3726 -0.1389 O.2 1 UNL1111111111 -0.4919 7 N -2.1396 0.5479 -0.5269 N.am 1 UNL1111111111 -0.5849 8 N 0.4548 -1.7373 0.6149 N.am 1 UNL1111111111 -0.5853 9 N 3.8971 -0.9014 -0.1538 N.am 1 UNL1111111111 -0.5999 10 NZ -7.2080 -3.7610 -0.3643 N.3 1 UNL1111111111 -0.6502 11 CA -1.7203 -0.7008 0.1009 C.3 1 UNL1111111111 0.0250 12 CB -2.6131 -1.8671 -0.3645 C.3 1 UNL1111111111 -0.2891 13 CG -4.0530 -1.6802 0.1217 C.3 1 UNL1111111111 -0.2619 14 CD -4.9346 -2.8292 -0.3731 C.3 1 UNL1111111111 -0.2825 15 C -0.2809 -1.0413 -0.3281 C.2 1 UNL1111111111 0.5386 16 CA 1.8142 -2.1498 0.2717 C.3 1 UNL1111111111 0.0283 17 C -2.1487 4.1107 -0.0150 C.3 1 UNL1111111111 0.3846 18 CE -6.3879 -2.6130 0.0863 C.3 1 UNL1111111111 -0.1055 19 C -1.8758 1.7191 0.1675 C.2 0 ACE0 0.7391 20 C 2.7889 -1.0233 0.6582 C.2 1 UNL1 0.5477 21 CB 2.1950 -3.4094 1.0494 C.3 1 UNL1 -0.4631 22 C -2.8644 4.2319 1.3247 C.3 1 UNL1 -0.5132 23 C -2.8391 4.9310 -1.1099 C.3 1 UNL1 -0.4853 24 C -0.6643 4.4301 0.1138 C.3 1 UNL1 -0.5093 25 CA 4.8572 0.1718 0.0915 C.3 1 UNL1 0.0564 26 CB 4.5124 1.4279 -0.7163 C.3 1 UNL1 -0.4690 27 C 6.2657 -0.2508 -0.3039 C.2 1 UNL1 0.6061 28 HA -1.7833 -0.5817 1.2210 H 1 UNL1 0.1841 29 HB1 -2.5860 -1.9500 -1.4693 H 1 UNL1 0.1572 30 HB2 -2.2033 -2.8243 0.0158 H 1 UNL1 0.1541 31 HG1 -4.4523 -0.7086 -0.2341 H 1 UNL1 0.1526 32 HG2 -4.0804 -1.6287 1.2261 H 1 UNL1 0.1421 33 HD1 -4.8876 -2.9174 -1.4734 H 1 UNL1 0.1384 34 HD2 -4.5721 -3.7982 0.0166 H 1 UNL1 0.1542 35 H -2.2891 0.5529 -1.5255 H 1 UNL1 0.3321 36 HA 1.8549 -2.3388 -0.8388 H 1 UNL1 0.1791 37 H 0.2318 -1.6935 1.5993 H 1 UNL1 0.3253 38 HE1 -6.4283 -2.5832 1.1981 H 1 UNL1 0.1400 39 HE2 -6.7743 -1.6379 -0.2786 H 1 UNL1 0.1089 40 HB1 1.5113 -4.2392 0.8223 H 1 UNL1 0.1637 41 HB2 2.1574 -3.2504 2.1342 H 1 UNL1 0.1646 42 HB3 3.2119 -3.7402 0.8008 H 1 UNL1 0.1616 43 H -3.8827 3.8349 1.2798 H 1 UNL1 0.1574 44 H -2.3380 3.6713 2.1152 H 1 UNL1 0.1869 45 H -2.9176 5.2773 1.6467 H 1 UNL1 0.1540 46 H -3.8992 4.6595 -1.2003 H 1 UNL1 0.1597 47 H -2.3778 4.7530 -2.0894 H 1 UNL1 0.1630 48 H -2.7810 6.0022 -0.8950 H 1 UNL1 0.1556 49 H -0.2020 3.8436 0.9249 H 1 UNL1 0.1826 50 H -0.1192 4.1973 -0.8063 H 1 UNL1 0.1610 51 H -0.5050 5.4905 0.3460 H 1 UNL1 0.1554 52 H 4.0198 -1.4431 -0.9953 H 1 UNL1 0.3281 53 HA 4.8604 0.4186 1.1995 H 1 UNL1 0.2004 54 HZ1 -8.1589 -3.6851 -0.0479 H 1 UNL1 0.2465 55 HZ2 -7.2068 -3.8512 -1.3667 H 1 UNL1 0.2454 56 HB1 4.4500 1.2277 -1.7939 H 1 UNL1 0.1599 57 HB2 3.5355 1.8288 -0.4053 H 1 UNL1 0.1791 58 HB3 5.2553 2.2207 -0.5594 H 1 UNL1 0.1693 59 H 7.1825 -1.7611 -1.1927 H 1 UNL1 0.3605 @BOND 1 1 17 1 2 1 19 1 3 2 15 2 4 3 19 2 5 4 20 2 6 5 27 1 7 5 59 1 8 6 27 2 9 7 11 1 10 7 19 am 11 7 35 1 12 8 15 am 13 8 16 1 14 8 37 1 15 9 20 am 16 9 25 1 17 9 52 1 18 10 18 1 19 10 54 1 20 10 55 1 21 11 12 1 22 11 15 1 23 11 28 1 24 12 13 1 25 12 29 1 26 12 30 1 27 13 14 1 28 13 31 1 29 13 32 1 30 14 18 1 31 14 33 1 32 14 34 1 33 16 20 1 34 16 21 1 35 16 36 1 36 17 22 1 37 17 23 1 38 17 24 1 39 18 38 1 40 18 39 1 41 21 40 1 42 21 41 1 43 21 42 1 44 22 43 1 45 22 44 1 46 22 45 1 47 23 46 1 48 23 47 1 49 23 48 1 50 24 49 1 51 24 50 1 52 24 51 1 53 25 26 1 54 25 27 1 55 25 53 1 56 26 56 1 57 26 57 1 58 26 58 1