@MOLECULE 2-[(4-aminobutanoyl)amino]-n-{4-[(3-aminopropyl)carbamoyl]-1,3-thiazol-2-yl}-1,3-thiazole-4-carboxamide 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.9898 -3.5457 -0.3701 S.2 1 UNL111111111 0.1341 2 S 1.2042 2.7736 -0.0239 S.2 1 UNL111111111 0.1645 3 O -4.2592 0.9360 0.1929 O.2 1 UNL111111111 -0.3832 4 O 5.7458 2.4614 -0.4839 O.2 1 UNL111111111 -0.5341 5 O 1.2970 -1.8806 -0.5137 O.2 1 UNL111111111 -0.3982 6 N 5.3963 0.2320 -0.7555 N.am 1 UNL111111111 -0.5648 7 N -4.6103 -1.3254 -0.0363 N.am 1 UNL111111111 -0.5864 8 N 7.6055 -1.8167 2.4471 N.3 1 UNL111111111 -0.6536 9 N -9.0738 2.8930 0.6602 N.3 1 UNL111111111 -0.6419 10 N 2.6489 0.6066 -0.3701 N.ar 1 UNL111111111 -0.4237 11 N 0.2746 0.1657 -0.1958 N.am 1 UNL111111111 -0.5292 12 N -2.2003 -1.0493 -0.1678 N.ar 1 UNL111111111 -0.4268 13 C 7.4867 -0.3513 0.4802 C.3 1 UNL111111111 -0.3140 14 C -7.0509 1.5213 0.4203 C.3 1 UNL111111111 -0.2586 15 C 6.8222 -0.0775 -0.8790 C.3 1 UNL111111111 -0.0535 16 C -6.5446 0.0916 0.2383 C.3 1 UNL111111111 -0.3708 17 C 6.8712 -1.5704 1.1835 C.3 1 UNL111111111 -0.0960 18 C -8.5905 1.5044 0.5052 C.3 1 UNL111111111 -0.1021 19 C -5.0363 0.0292 0.1383 C.2 1 UNL111111111 0.5848 20 C 4.9774 1.5170 -0.5238 C.2 1 UNL111111111 0.5844 21 C 3.5067 1.7127 -0.3525 C.ar 1 UNL111111111 0.0343 22 C -3.3092 -1.7583 -0.1645 C.ar 1 UNL111111111 0.2973 23 C -1.0659 -1.8602 -0.3282 C.ar 1 UNL111111111 0.0231 24 C 1.3896 0.9736 -0.2180 C.ar 1 UNL111111111 0.2891 25 C 2.9250 2.9367 -0.1820 C.ar 1 UNL111111111 -0.3034 26 C 0.2943 -1.2323 -0.3619 C.2 1 UNL111111111 0.5859 27 C -1.2879 -3.2017 -0.4478 C.ar 1 UNL111111111 -0.2770 28 H 7.4052 0.5482 1.1219 H 1 UNL111111111 0.1583 29 H 8.5741 -0.5166 0.3415 H 1 UNL111111111 0.1584 30 H -6.7274 2.1708 -0.4202 H 1 UNL111111111 0.1753 31 H -6.6100 1.9856 1.3240 H 1 UNL111111111 0.1565 32 H 6.9366 -0.9536 -1.5568 H 1 UNL111111111 0.1365 33 H 7.3395 0.7860 -1.3693 H 1 UNL111111111 0.1626 34 H -7.0024 -0.3462 -0.6761 H 1 UNL111111111 0.1725 35 H -6.8894 -0.5340 1.0916 H 1 UNL111111111 0.1697 36 H 6.9799 -2.4746 0.5444 H 1 UNL111111111 0.1359 37 H 5.7801 -1.4136 1.3461 H 1 UNL111111111 0.1174 38 H -9.0214 1.0982 -0.4387 H 1 UNL111111111 0.1404 39 H -8.9237 0.8373 1.3295 H 1 UNL111111111 0.1049 40 H 4.7294 -0.5305 -0.7319 H 1 UNL111111111 0.3361 41 H -5.3354 -2.0425 -0.0702 H 1 UNL111111111 0.3216 42 H 7.5787 -1.0129 3.0564 H 1 UNL111111111 0.2478 43 H 7.2387 -2.6111 2.9396 H 1 UNL111111111 0.2447 44 H -10.0791 2.9410 0.6679 H 1 UNL111111111 0.2490 45 H -8.7194 3.3226 1.5001 H 1 UNL111111111 0.2493 46 H 3.4399 3.8849 -0.1428 H 1 UNL111111111 0.2095 47 H -0.6542 0.6033 -0.0908 H 1 UNL111111111 0.3608 48 H -0.5390 -3.9699 -0.5793 H 1 UNL111111111 0.2128 @BOND 1 1 22 ar 2 1 27 ar 3 2 24 ar 4 2 25 ar 5 3 19 2 6 4 20 2 7 5 26 2 8 6 15 1 9 6 20 am 10 6 40 1 11 7 19 am 12 7 22 1 13 7 41 1 14 8 17 1 15 8 42 1 16 8 43 1 17 9 18 1 18 9 44 1 19 9 45 1 20 10 21 ar 21 10 24 ar 22 11 24 1 23 11 26 am 24 11 47 1 25 12 22 ar 26 12 23 ar 27 13 15 1 28 13 17 1 29 13 28 1 30 13 29 1 31 14 16 1 32 14 18 1 33 14 30 1 34 14 31 1 35 15 32 1 36 15 33 1 37 16 19 1 38 16 34 1 39 16 35 1 40 17 36 1 41 17 37 1 42 18 38 1 43 18 39 1 44 20 21 1 45 21 25 ar 46 23 26 1 47 23 27 ar 48 25 46 1 49 27 48 1