@MOLECULE (3r)-n~6~-(diaminomethylene)-3-formyl-n~2~-({4-[(2-methyl-2-propanyl)carbamoyl]-1-piperazinyl}carbonyl)-l-lysine 63 63 0 0 0 SMALL GASTEIGER @ATOM 1 C 8.7710 -0.6767 0.6532 C.3 1 UNL1111111111 -0.4938 2 C 7.7355 0.2174 -0.0583 C.3 1 UNL1111111111 0.3422 3 C 7.7003 1.6048 0.6006 C.3 1 UNL1111111111 -0.4875 4 C 8.0859 0.3359 -1.5495 C.3 1 UNL1111111111 -0.4973 5 N 4.0988 -0.7232 -0.3045 N.am 1 UNL1111111111 -0.4949 6 C 3.6546 -0.9425 1.0874 C.3 1 UNL1111111111 -0.1292 7 C 2.9120 0.2841 1.6772 C.3 1 UNL1111111111 -0.1189 8 C 2.9837 -0.2657 -1.1605 C.3 1 UNL1111111111 -0.1187 9 C 2.2742 0.9750 -0.5671 C.3 1 UNL1111111111 -0.1305 10 C 0.6046 -0.0024 1.0146 C.2 1 UNL1111111111 0.6972 11 O 0.3859 -0.5986 2.0560 O.2 1 UNL1111111111 -0.5680 12 N 1.8011 0.7096 0.8018 N.am 1 UNL1111111111 -0.4541 13 C -2.8410 0.2362 -0.2202 C.3 1 UNL1111111111 -0.2587 14 C -2.7006 1.6451 0.3477 C.2 1 UNL1111111111 0.3680 15 N -0.4104 0.1387 0.0624 N.am 1 UNL1111111111 -0.6187 16 CA -1.6415 -0.6155 0.2540 C.3 1 UNL1111111111 0.0312 17 O -2.8215 2.6063 -0.3655 O.2 1 UNL1111111111 -0.4360 18 C -4.1684 -0.3551 0.2696 C.3 1 UNL1111111111 -0.2720 19 C -5.3490 0.3287 -0.4260 C.3 1 UNL1111111111 -0.2952 20 C -6.6725 -0.2234 0.1250 C.3 1 UNL1111111111 -0.0723 21 N -7.7810 0.5541 -0.4759 N.pl3 1 UNL1111111111 -0.5491 22 C -9.0685 0.2854 0.0449 C.cat 1 UNL1111111111 0.5448 23 N -10.0926 1.0012 -0.6305 N.pl3 1 UNL1111111111 -0.6981 24 N -9.2373 -0.5352 1.0294 N.pl3 1 UNL1111111111 -0.6909 25 C -1.6359 -1.9175 -0.5446 C.2 1 UNL1111111111 0.5958 26 O -0.7493 -1.8591 -1.5701 O.3 1 UNL1111111111 -0.5688 27 OXT -2.3130 -2.8907 -0.3604 O.2 1 UNL1111111111 -0.4837 28 C 5.2754 0.0986 -0.4531 C.2 1 UNL1111111111 0.6995 29 O 5.2493 1.1474 -1.0704 O.2 1 UNL1111111111 -0.5755 30 N 6.4122 -0.4363 0.1101 N.am 1 UNL1111111111 -0.6313 31 H 9.7702 -0.2305 0.5864 H 1 UNL1111111111 0.1615 32 H 8.5403 -0.7968 1.7172 H 1 UNL1111111111 0.1541 33 H 8.8311 -1.6719 0.2005 H 1 UNL1111111111 0.1519 34 H 7.4140 1.5440 1.6550 H 1 UNL1111111111 0.1515 35 H 8.6757 2.0960 0.5392 H 1 UNL1111111111 0.1518 36 H 6.9706 2.2601 0.1002 H 1 UNL1111111111 0.1799 37 H 8.0469 -0.6340 -2.0541 H 1 UNL1111111111 0.1517 38 H 7.3766 0.9995 -2.0691 H 1 UNL1111111111 0.1822 39 H 9.0867 0.7538 -1.6903 H 1 UNL1111111111 0.1525 40 H 2.9774 -1.8297 1.0845 H 1 UNL1111111111 0.1671 41 H 4.5175 -1.2085 1.7309 H 1 UNL1111111111 0.1480 42 H 2.5229 0.0475 2.6953 H 1 UNL1111111111 0.1790 43 H 3.6026 1.1502 1.7883 H 1 UNL1111111111 0.1590 44 H 3.3738 -0.0336 -2.1778 H 1 UNL1111111111 0.1692 45 H 2.2761 -1.1174 -1.2692 H 1 UNL1111111111 0.1541 46 H 1.4547 1.3280 -1.2207 H 1 UNL1111111111 0.1452 47 H 2.9983 1.8303 -0.5140 H 1 UNL1111111111 0.1892 48 H -2.8429 0.2944 -1.3377 H 1 UNL1111111111 0.1777 49 H -2.4980 1.7382 1.4198 H 1 UNL1111111111 0.1250 50 H -0.2200 0.4686 -0.8738 H 1 UNL1111111111 0.3261 51 HA -1.7544 -0.8863 1.3509 H 1 UNL1111111111 0.2137 52 H -4.1995 -1.4491 0.0729 H 1 UNL1111111111 0.1701 53 H -4.2587 -0.2563 1.3700 H 1 UNL1111111111 0.1528 54 H -5.3101 1.4277 -0.2741 H 1 UNL1111111111 0.1638 55 H -5.2914 0.1784 -1.5202 H 1 UNL1111111111 0.1413 56 H -6.7738 -1.3129 -0.0752 H 1 UNL1111111111 0.1399 57 H -6.7248 -0.1070 1.2337 H 1 UNL1111111111 0.1682 58 H -7.7347 0.6017 -1.4913 H 1 UNL1111111111 0.2911 59 H -10.9633 1.1080 -0.1445 H 1 UNL1111111111 0.2904 60 H -9.8334 1.8231 -1.1456 H 1 UNL1111111111 0.2930 61 H -10.1285 -0.6485 1.4707 H 1 UNL1111111111 0.2830 62 H -0.7126 -2.6890 -2.1100 H 1 UNL1111111111 0.3627 63 H 6.4034 -1.3786 0.4701 H 1 UNL1111111111 0.3183 @BOND 1 1 2 1 2 1 31 1 3 1 32 1 4 1 33 1 5 2 3 1 6 2 4 1 7 2 30 1 8 3 34 1 9 3 35 1 10 3 36 1 11 4 37 1 12 4 38 1 13 4 39 1 14 5 6 1 15 5 8 1 16 5 28 am 17 6 7 1 18 6 40 1 19 6 41 1 20 7 12 1 21 7 42 1 22 7 43 1 23 8 9 1 24 8 44 1 25 8 45 1 26 9 12 1 27 9 46 1 28 9 47 1 29 10 11 2 30 10 12 am 31 10 15 am 32 13 14 1 33 13 16 1 34 13 18 1 35 13 48 1 36 14 17 2 37 14 49 1 38 15 16 1 39 15 50 1 40 16 25 1 41 16 51 1 42 18 19 1 43 18 52 1 44 18 53 1 45 19 20 1 46 19 54 1 47 19 55 1 48 20 21 1 49 20 56 1 50 20 57 1 51 21 22 1 52 21 58 1 53 22 23 1 54 22 24 2 55 23 59 1 56 23 60 1 57 24 61 1 58 25 26 1 59 25 27 2 60 26 62 1 61 28 29 2 62 28 30 am 63 30 63 1