@MOLECULE 6-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)-n'-{5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoyl}hexanehydrazide 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.1555 -0.7612 0.5399 S.3 1 UNL111111111 0.0376 2 O 6.5652 0.4437 1.7324 O.2 1 UNL111111111 -0.5178 3 O -2.5156 2.0605 -1.2844 O.2 1 UNL111111111 -0.5149 4 O -0.9864 0.9885 1.6657 O.2 1 UNL111111111 -0.4954 5 O -4.3634 -1.1683 -2.0290 O.2 1 UNL111111111 -0.4198 6 O -1.0525 -3.3408 0.2632 O.2 1 UNL111111111 -0.4211 7 N 5.1993 0.6031 -0.1295 N.am 1 UNL111111111 -0.6369 8 N 5.6660 -1.4632 0.7236 N.am 1 UNL111111111 -0.6020 9 N -1.5939 3.2949 0.3930 N.am 1 UNL111111111 -0.4159 10 N -2.4372 2.7162 1.3455 N.am 1 UNL111111111 -0.4250 11 N -2.9720 -2.4010 -0.6423 N.am 1 UNL111111111 -0.5861 12 C 4.3684 -0.2901 -0.9393 C.3 1 UNL111111111 0.0537 13 C 4.5826 -1.7083 -0.2499 C.3 1 UNL111111111 0.0516 14 C 2.8710 0.0541 -0.9561 C.3 1 UNL111111111 -0.2092 15 C 3.2847 -2.1975 0.3950 C.3 1 UNL111111111 -0.3862 16 C 2.5624 1.5450 -0.9767 C.3 1 UNL111111111 -0.2758 17 C 5.8658 -0.0705 0.8925 C.2 1 UNL111111111 0.7094 18 C 1.1163 1.7772 -1.4304 C.3 1 UNL111111111 -0.2754 19 C 0.7927 3.2730 -1.4949 C.3 1 UNL111111111 -0.2607 20 C -0.6727 3.4818 -1.8856 C.3 1 UNL111111111 -0.3620 21 C -1.6408 2.8189 -0.9338 C.2 1 UNL111111111 0.5612 22 C -4.3497 -0.3219 1.1333 C.3 1 UNL111111111 -0.2804 23 C -3.8651 -1.7075 1.5681 C.3 1 UNL111111111 -0.3023 24 C -4.4316 0.6361 2.3255 C.3 1 UNL111111111 -0.2583 25 C -3.9244 -2.7194 0.4140 C.3 1 UNL111111111 -0.0405 26 C -3.0492 0.9299 2.9138 C.3 1 UNL111111111 -0.3595 27 C -2.0749 1.4603 1.8921 C.2 1 UNL111111111 0.5604 28 C -3.2665 -1.5572 -1.7482 C.2 1 UNL111111111 0.5721 29 C -1.5776 -2.6686 -0.5766 C.2 1 UNL111111111 0.5798 30 C -1.9478 -1.3437 -2.4567 C.2 1 UNL111111111 -0.1842 31 C -0.9798 -1.9801 -1.7837 C.2 1 UNL111111111 -0.1928 32 H 4.7691 -0.3059 -1.9835 H 1 UNL111111111 0.1456 33 H 4.9589 -2.4457 -0.9996 H 1 UNL111111111 0.1545 34 H 2.4137 -0.4295 -1.8532 H 1 UNL111111111 0.1569 35 H 3.4376 -2.6288 1.3993 H 1 UNL111111111 0.1752 36 H 2.8054 -2.9940 -0.2035 H 1 UNL111111111 0.1703 37 H 2.7285 2.0088 0.0184 H 1 UNL111111111 0.1609 38 H 3.2581 2.0645 -1.6676 H 1 UNL111111111 0.1419 39 H 5.1496 1.5958 -0.1974 H 1 UNL111111111 0.3356 40 H 5.7009 -2.0479 1.5469 H 1 UNL111111111 0.3188 41 H 0.4136 1.2683 -0.7346 H 1 UNL111111111 0.1694 42 H 0.9438 1.3144 -2.4210 H 1 UNL111111111 0.1414 43 H 1.0228 3.7605 -0.5302 H 1 UNL111111111 0.1403 44 H 1.4464 3.7749 -2.2354 H 1 UNL111111111 0.1467 45 H -0.8523 3.0770 -2.9076 H 1 UNL111111111 0.1806 46 H -0.9085 4.5650 -1.9534 H 1 UNL111111111 0.1726 47 H -5.3369 -0.3978 0.6367 H 1 UNL111111111 0.1535 48 H -3.6774 0.0935 0.3536 H 1 UNL111111111 0.1568 49 H -2.8244 -1.6472 1.9510 H 1 UNL111111111 0.1626 50 H -4.4801 -2.0827 2.4093 H 1 UNL111111111 0.1447 51 H -4.9348 1.5733 2.0224 H 1 UNL111111111 0.1353 52 H -5.0798 0.1991 3.1125 H 1 UNL111111111 0.1496 53 H -0.6932 3.5492 0.8046 H 1 UNL111111111 0.3232 54 H -3.6954 -3.7422 0.7981 H 1 UNL111111111 0.1512 55 H -4.9477 -2.7487 -0.0269 H 1 UNL111111111 0.1567 56 H -2.6206 0.0053 3.3645 H 1 UNL111111111 0.1851 57 H -3.1303 1.6555 3.7504 H 1 UNL111111111 0.1717 58 H -3.4191 2.9074 1.1345 H 1 UNL111111111 0.3214 59 H -1.9063 -0.7477 -3.3503 H 1 UNL111111111 0.1881 60 H 0.0751 -2.0483 -1.9751 H 1 UNL111111111 0.1860 @BOND 1 1 14 1 2 1 15 1 3 2 17 2 4 3 21 2 5 4 27 2 6 5 28 2 7 6 29 2 8 7 12 1 9 7 17 am 10 7 39 1 11 8 13 1 12 8 17 am 13 8 40 1 14 9 10 1 15 9 21 am 16 9 53 1 17 10 27 am 18 10 58 1 19 11 25 1 20 11 28 am 21 11 29 am 22 12 13 1 23 12 14 1 24 12 32 1 25 13 15 1 26 13 33 1 27 14 16 1 28 14 34 1 29 15 35 1 30 15 36 1 31 16 18 1 32 16 37 1 33 16 38 1 34 18 19 1 35 18 41 1 36 18 42 1 37 19 20 1 38 19 43 1 39 19 44 1 40 20 21 1 41 20 45 1 42 20 46 1 43 22 23 1 44 22 24 1 45 22 47 1 46 22 48 1 47 23 25 1 48 23 49 1 49 23 50 1 50 24 26 1 51 24 51 1 52 24 52 1 53 25 54 1 54 25 55 1 55 26 27 1 56 26 56 1 57 26 57 1 58 28 30 1 59 29 31 1 60 30 31 2 61 30 59 1 62 31 60 1