@MOLECULE (3r,5r,6r)-3-amino-n-[(3z)-3-amino-3-iminopropyl]-6-[(2e,4e)-2,4-hexadienoylamino]-5-hydroxyheptanamide 53 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9475 1.2873 1.6291 O.3 1 UNL1111111111 -0.5548 2 O -1.7148 -2.7245 1.2618 O.2 1 UNL1111111111 -0.5298 3 O 0.1383 1.7600 -1.5602 O.2 1 UNL1111111111 -0.5637 4 N -0.8099 2.4316 0.3836 N.am 1 UNL1111111111 -0.6048 5 N -5.0866 -0.7978 -0.5564 N.3 1 UNL1111111111 -0.6649 6 N -0.7411 -2.7317 -0.7836 N.am 1 UNL1111111111 -0.6071 7 N 3.5738 -2.2631 -0.9324 N.pl3 1 UNL1111111111 -0.7141 8 N 3.2890 -2.2682 1.4364 N.2 1 UNL1111111111 -0.6321 9 C -3.1036 1.5192 0.2480 C.3 1 UNL1111111111 0.1254 10 C -2.8585 0.2451 -0.5632 C.3 1 UNL1111111111 -0.3768 11 C -3.6994 -0.9379 -0.0469 C.3 1 UNL1111111111 0.0905 12 C -2.1292 2.6487 -0.2180 C.3 1 UNL1111111111 0.0562 13 C -3.1366 -2.2597 -0.6118 C.3 1 UNL1111111111 -0.3955 14 C -2.6765 4.0158 0.2059 C.3 1 UNL1111111111 -0.4797 15 C -1.8227 -2.5702 0.0631 C.2 1 UNL1111111111 0.5862 16 C 0.2642 2.0053 -0.3722 C.2 1 UNL1111111111 0.5937 17 C 0.5816 -3.0222 -0.2313 C.3 1 UNL1111111111 -0.0463 18 C 1.3774 -1.7263 0.0409 C.3 1 UNL1111111111 -0.3325 19 C 1.5348 1.8162 0.3586 C.2 1 UNL1111111111 -0.3233 20 C 2.8289 -2.0793 0.2514 C.2 1 UNL1111111111 0.4257 21 C 2.6971 1.8398 -0.3124 C.2 1 UNL1111111111 -0.0257 22 C 3.9739 1.5598 0.3247 C.2 1 UNL1111111111 -0.2279 23 C 5.1106 1.4876 -0.3843 C.2 1 UNL1111111111 -0.0732 24 C 6.4304 1.1664 0.2166 C.3 1 UNL1111111111 -0.4593 25 H -4.1600 1.8630 0.1845 H 1 UNL1111111111 0.1401 26 H -3.0880 0.4256 -1.6329 H 1 UNL1111111111 0.1738 27 H -1.7824 -0.0124 -0.5395 H 1 UNL1111111111 0.1652 28 H -3.6619 -0.9691 1.0760 H 1 UNL1111111111 0.1462 29 H -2.0379 2.6089 -1.3385 H 1 UNL1111111111 0.1698 30 H -3.8373 -3.0991 -0.4225 H 1 UNL1111111111 0.1785 31 H -3.0703 -2.1964 -1.7143 H 1 UNL1111111111 0.1717 32 H -3.5391 4.3050 -0.4041 H 1 UNL1111111111 0.1535 33 H -1.9187 4.8004 0.0921 H 1 UNL1111111111 0.1569 34 H -3.0018 4.0108 1.2535 H 1 UNL1111111111 0.1637 35 H -0.7119 2.6909 1.3523 H 1 UNL1111111111 0.3173 36 H -5.4622 0.1130 -0.3524 H 1 UNL1111111111 0.2518 37 H -5.7032 -1.4932 -0.1692 H 1 UNL1111111111 0.2504 38 H -2.1384 0.7639 1.8086 H 1 UNL1111111111 0.3251 39 H -0.7874 -2.4664 -1.7522 H 1 UNL1111111111 0.3092 40 H 0.4774 -3.6009 0.7223 H 1 UNL1111111111 0.1817 41 H 1.1312 -3.6733 -0.9480 H 1 UNL1111111111 0.1425 42 H 0.9764 -1.2306 0.9556 H 1 UNL1111111111 0.1918 43 H 1.2432 -0.9941 -0.7767 H 1 UNL1111111111 0.1639 44 H 1.4720 1.6298 1.4278 H 1 UNL1111111111 0.1741 45 H 2.7175 2.0466 -1.3898 H 1 UNL1111111111 0.1632 46 H 4.5669 -2.3518 -0.8685 H 1 UNL1111111111 0.2856 47 H 3.2538 -1.8505 -1.7826 H 1 UNL1111111111 0.2949 48 H 3.9559 1.3836 1.4020 H 1 UNL1111111111 0.1681 49 H 4.2371 -2.5383 1.6059 H 1 UNL1111111111 0.2689 50 H 5.1276 1.6651 -1.4614 H 1 UNL1111111111 0.1436 51 H 7.1308 2.0104 0.1068 H 1 UNL1111111111 0.1658 52 H 6.8984 0.3020 -0.2771 H 1 UNL1111111111 0.1566 53 H 6.3737 0.9363 1.2899 H 1 UNL1111111111 0.1599 @BOND 1 1 9 1 2 1 38 1 3 2 15 2 4 3 16 2 5 4 12 1 6 4 16 am 7 4 35 1 8 5 11 1 9 5 36 1 10 5 37 1 11 6 15 am 12 6 17 1 13 6 39 1 14 7 20 1 15 7 46 1 16 7 47 1 17 8 20 2 18 8 49 1 19 9 10 1 20 9 12 1 21 9 25 1 22 10 11 1 23 10 26 1 24 10 27 1 25 11 13 1 26 11 28 1 27 12 14 1 28 12 29 1 29 13 15 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1 35 16 19 1 36 17 18 1 37 17 40 1 38 17 41 1 39 18 20 1 40 18 42 1 41 18 43 1 42 19 21 2 43 19 44 1 44 21 22 1 45 21 45 1 46 22 23 2 47 22 48 1 48 23 24 1 49 23 50 1 50 24 51 1 51 24 52 1 52 24 53 1