@MOLECULE n-[(2-phenylethyl)sulfonyl]-d-seryl-n-{(2s)-5-[(diaminomethylene)amino]-1-hydroxy-2-pentanyl}-l-alaninamide 67 67 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.1208 -0.7622 0.7142 C.3 0 UNK0 -0.5586 2 C 5.7659 -1.8045 -0.2051 C.3 0 UNK0 -0.2690 3 C 6.7994 -1.1358 -1.0650 C.ar 0 UNK0 0.0109 4 C 8.0757 -0.8751 -0.5630 C.ar 0 UNK0 -0.1808 5 C 6.4780 -0.7600 -2.3713 C.ar 0 UNK0 -0.1784 6 C 9.0220 -0.2404 -1.3641 C.ar 0 UNK0 -0.1454 7 C 7.4270 -0.1279 -3.1707 C.ar 0 UNK0 -0.1458 8 C 8.7001 0.1346 -2.6675 C.ar 0 UNK0 -0.1600 9 S 3.5047 -1.2688 1.2892 S.O2 0 UNK0 2.3308 10 O 3.6399 -2.0893 2.4643 O.2 0 UNK0 -0.8892 11 O 2.7283 -1.6815 0.1446 O.2 0 UNK0 -0.9160 12 N 2.8388 0.2520 1.8432 N.3 0 UNK0 -0.8562 13 C 1.9771 1.0118 0.9348 C.3 0 UNK0 -0.0577 14 C 2.4448 2.4937 0.9401 C.3 0 UNK0 -0.0083 15 O 1.7556 3.2590 1.8980 O.3 0 UNK0 -0.5508 16 C 0.5188 1.0014 1.4351 C.2 0 UNK0 0.5695 17 O 0.2606 0.8337 2.6130 O.2 0 UNK0 -0.5669 18 N -0.4448 1.1983 0.4852 N.am 1 ALA1 -0.5766 19 CA -1.8500 1.3660 0.8767 C.3 1 ALA1 0.0350 20 CB -2.0611 2.6596 1.6691 C.3 1 ALA1 -0.4776 21 C -2.6625 1.4397 -0.4282 C.2 1 ALA1 0.5516 22 O -2.1195 1.5978 -1.5074 O.2 1 ALA1 -0.5589 23 N -4.0238 1.2804 -0.3296 N.am 2 ARG2 -0.5738 24 CA -4.8417 1.4870 -1.5345 C.3 2 ARG2 0.0830 25 CB -6.1703 0.7209 -1.4203 C.3 2 ARG2 -0.3012 26 CG -5.9592 -0.7924 -1.3779 C.3 2 ARG2 -0.2985 27 CD -7.3209 -1.5128 -1.4834 C.3 2 ARG2 -0.0825 28 NE -7.2672 -2.9033 -1.0741 N.pl3 2 ARG2 -0.5720 29 CZ -7.1210 -3.2700 0.1605 C.cat 2 ARG2 0.5157 30 NH1 -6.9576 -4.6537 0.4357 N.pl3 2 ARG2 -0.6267 31 NH2 -7.1214 -2.4574 1.3205 N.pl3 2 ARG2 -0.6733 32 C -5.1287 2.9996 -1.7088 C.3 2 ARG2 -0.0468 33 O -5.8861 3.3600 -0.5641 O.3 2 ARG2 -0.5590 34 H 5.0411 0.2084 0.1806 H 0 UNK0 0.1837 35 H 5.7889 -0.5542 1.5745 H 0 UNK0 0.1824 36 H 6.2278 -2.6226 0.3896 H 0 UNK0 0.1592 37 H 5.0093 -2.3106 -0.8501 H 0 UNK0 0.1747 38 H 8.3336 -1.1693 0.4523 H 0 UNK0 0.1536 39 H 5.4840 -0.9635 -2.7680 H 0 UNK0 0.1593 40 H 10.0174 -0.0381 -0.9718 H 0 UNK0 0.1516 41 H 7.1753 0.1597 -4.1900 H 0 UNK0 0.1520 42 H 9.4424 0.6288 -3.2912 H 0 UNK0 0.1549 43 H 2.4637 0.2385 2.8000 H 0 UNK0 0.3248 44 H 2.0306 0.6059 -0.1124 H 0 UNK0 0.1816 45 H 3.5306 2.5696 1.1357 H 0 UNK0 0.1392 46 H 2.1959 3.0029 -0.0092 H 0 UNK0 0.1399 47 H 1.7410 2.8064 2.7699 H 0 UNK0 0.3335 48 H -0.2304 1.3889 -0.4902 H 1 ALA1 0.3395 49 HA -2.1582 0.4776 1.4945 H 1 ALA1 0.1769 50 HB1 -1.7583 3.5467 1.0980 H 1 ALA1 0.1652 51 HB2 -3.1021 2.7920 1.9775 H 1 ALA1 0.1550 52 HB3 -1.4446 2.6496 2.5847 H 1 ALA1 0.1864 53 H -4.5088 1.3214 0.5524 H 2 ARG2 0.3177 54 HA -4.2593 1.1223 -2.4273 H 2 ARG2 0.1726 55 HB1 -6.7330 1.0644 -0.5287 H 2 ARG2 0.1582 56 HB2 -6.8095 0.9893 -2.2854 H 2 ARG2 0.1515 57 HG1 -5.3021 -1.1254 -2.2049 H 2 ARG2 0.1599 58 HG2 -5.4180 -1.0879 -0.4622 H 2 ARG2 0.1431 59 HD1 -8.1061 -0.9505 -0.9301 H 2 ARG2 0.1260 60 HD2 -7.6498 -1.5313 -2.5522 H 2 ARG2 0.1557 61 HH11 -7.5291 -5.0153 1.1810 H 2 ARG2 0.2821 62 HH12 -7.0034 -5.2408 -0.3899 H 2 ARG2 0.2993 63 HH21 -6.7111 -2.8441 2.1528 H 2 ARG2 0.2924 64 HH22 -6.8687 -1.4947 1.1779 H 2 ARG2 0.2916 65 H1 -4.1933 3.5873 -1.7252 H 2 ARG2 0.1324 66 H2 -5.7150 3.1998 -2.6201 H 2 ARG2 0.1205 67 H -6.1515 4.2976 -0.6116 H 2 ARG2 0.3169 @BOND 1 1 2 1 2 1 9 1 3 1 34 1 4 1 35 1 5 2 3 1 6 2 36 1 7 2 37 1 8 3 4 ar 9 3 5 ar 10 4 6 ar 11 4 38 1 12 5 7 ar 13 5 39 1 14 6 8 ar 15 6 40 1 16 7 8 ar 17 7 41 1 18 8 42 1 19 9 10 2 20 9 11 2 21 9 12 1 22 12 13 1 23 12 43 1 24 13 14 1 25 13 16 1 26 13 44 1 27 14 15 1 28 14 45 1 29 14 46 1 30 15 47 1 31 16 17 2 32 16 18 am 33 18 19 1 34 18 48 1 35 19 20 1 36 19 21 1 37 19 49 1 38 20 50 1 39 20 51 1 40 20 52 1 41 21 22 2 42 21 23 am 43 23 24 1 44 23 53 1 45 24 25 1 46 24 32 1 47 24 54 1 48 25 26 1 49 25 55 1 50 25 56 1 51 26 27 1 52 26 57 1 53 26 58 1 54 27 28 1 55 27 59 1 56 27 60 1 57 28 29 2 58 29 30 1 59 29 31 1 60 30 61 1 61 30 62 1 62 31 63 1 63 31 64 1 64 32 33 1 65 32 65 1 66 32 66 1 67 33 67 1