@MOLECULE (5r)-3-({2-[(e)-(aminomethylene)amino]ethyl}sulfanyl)-5-[(2s,3r)-3-hydroxy-1-oxo-2-butanyl]-4,5-dihydro-1h-pyrrole-2-carboxylic acid 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.8568 1.8017 0.1477 C.2 1 UNL1111111111 0.3885 2 C 0.0499 -1.2297 -1.0050 C.2 1 UNL1111111111 -0.1919 3 C -2.1005 1.4738 -0.6589 C.3 1 UNL1111111111 -0.3281 4 C -2.0202 0.0035 -1.1299 C.3 1 UNL1111111111 0.0757 5 CA -0.7280 -1.5403 0.0590 C.2 1 UNL1111111111 0.0769 6 O 0.0180 2.4742 -0.3413 O.2 1 UNL1111111111 -0.4861 7 C -3.3417 1.8025 0.1931 C.3 1 UNL1111111111 0.1921 8 O -3.1067 1.1671 1.4425 O.3 1 UNL1111111111 -0.5978 9 C -4.6478 1.3131 -0.4180 C.3 1 UNL1111111111 -0.5124 10 N -2.0220 -0.9790 -0.0078 N.pl3 1 UNL1111111111 -0.4998 11 C -0.4133 -2.4256 1.1977 C.2 1 UNL1111111111 0.6287 12 O -0.0355 -3.5623 1.2065 O.2 1 UNL1111111111 -0.4305 13 OXT -0.6278 -1.7394 2.3557 O.3 1 UNL1111111111 -0.5649 14 S 1.6301 -1.8685 -1.3519 S.3 1 UNL1111111111 0.0544 15 C 2.6795 -0.3645 -1.3642 C.3 1 UNL1111111111 -0.3392 16 C 3.0282 0.1379 0.0451 C.3 1 UNL1111111111 -0.0713 17 N 2.8983 1.6048 0.0610 N.pl3 1 UNL1111111111 -0.5507 18 C 3.7839 2.3783 0.8032 C.2 1 UNL1111111111 0.2728 19 N 4.8133 1.8309 1.3681 N.2 1 UNL1111111111 -0.6594 20 C -0.6908 -0.2786 -1.9064 C.3 1 UNL1111111111 -0.2976 21 H -0.7780 1.4028 1.1670 H 1 UNL1111111111 0.1472 22 H -2.1293 2.1212 -1.5742 H 1 UNL1111111111 0.1835 23 H -2.9066 -0.2311 -1.7688 H 1 UNL1111111111 0.1550 24 H -3.3799 2.9005 0.3978 H 1 UNL1111111111 0.1248 25 H -3.9037 1.1706 2.0047 H 1 UNL1111111111 0.3364 26 H -4.7137 0.2149 -0.4009 H 1 UNL1111111111 0.1751 27 H -5.5194 1.6966 0.1256 H 1 UNL1111111111 0.1560 28 H -4.7533 1.6310 -1.4622 H 1 UNL1111111111 0.1642 29 H -2.4340 -0.6417 0.8612 H 1 UNL1111111111 0.3239 30 HXT -0.4213 -2.2640 3.1690 H 1 UNL1111111111 0.3600 31 H 3.6022 -0.6365 -1.9136 H 1 UNL1111111111 0.1723 32 H 2.2061 0.4330 -1.9667 H 1 UNL1111111111 0.1667 33 H 2.3896 -0.3141 0.8352 H 1 UNL1111111111 0.1359 34 H 4.0779 -0.1502 0.3106 H 1 UNL1111111111 0.1867 35 H 1.9500 1.9475 -0.0442 H 1 UNL1111111111 0.3163 36 H 3.5300 3.4548 0.7843 H 1 UNL1111111111 0.1287 37 H 5.5052 2.4055 1.8111 H 1 UNL1111111111 0.2704 38 H -0.1230 0.6440 -2.1220 H 1 UNL1111111111 0.1679 39 H -0.9052 -0.7436 -2.8875 H 1 UNL1111111111 0.1696 @BOND 1 1 3 1 2 1 6 2 3 1 21 1 4 2 5 2 5 2 14 1 6 2 20 1 7 3 4 1 8 3 7 1 9 3 22 1 10 4 10 1 11 4 20 1 12 4 23 1 13 5 10 1 14 5 11 1 15 7 8 1 16 7 9 1 17 7 24 1 18 8 25 1 19 9 26 1 20 9 27 1 21 9 28 1 22 10 29 1 23 11 12 2 24 11 13 1 25 13 30 1 26 14 15 1 27 15 16 1 28 15 31 1 29 15 32 1 30 16 17 1 31 16 33 1 32 16 34 1 33 17 18 1 34 17 35 1 35 18 19 2 36 18 36 1 37 19 37 1 38 20 38 1 39 20 39 1