@MOLECULE (2s)-2-amino-n-[(2s)-1-{[(2s)-1-(2-{[5-(dimethylamino)-1-naphthyl]sulfonyl}hydrazino)-3-methyl-1-oxo-2-butanyl]amino}-3-methyl-1-oxo-2-butanyl]-3-methylbutanamide 81 82 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.6938 0.0546 0.6882 S.O2 1 UNL1111111111 2.3195 2 O 1.1636 0.9293 0.8046 O.2 1 UNL1111111111 -0.5271 3 O 5.2206 1.7236 0.1215 O.2 1 UNL1111111111 -0.5606 4 O -1.6023 1.6032 -1.4047 O.2 1 UNL1111111111 -0.5160 5 O -5.1217 0.6081 1.9500 O.2 1 UNL1111111111 -0.8864 6 O -5.6163 -0.5722 -0.2265 O.2 1 UNL1111111111 -0.8878 7 N 0.5904 2.8036 -0.3263 N.am 1 UNL1111111111 -0.5798 8 N 3.4473 0.4625 -0.5073 N.am 1 UNL1111111111 -0.5704 9 N -2.9548 1.9899 0.3798 N.am 1 UNL1111111111 -0.4501 10 N 6.7830 -0.2974 0.9781 N.3 1 UNL1111111111 -0.6110 11 N -4.0731 1.4342 -0.2714 N.3 1 UNL1111111111 -0.6294 12 N 0.2267 -4.0021 -0.4526 N.pl3 1 UNL1111111111 -0.4071 13 C 2.6768 1.6182 -0.9569 C.3 1 UNL1111111111 -0.0120 14 C 2.3210 1.5085 -2.4685 C.3 1 UNL1111111111 -0.0630 15 C -0.6630 2.9249 0.4080 C.3 1 UNL1111111111 -0.0093 16 C -1.0786 4.4126 0.5668 C.3 1 UNL1111111111 -0.0826 17 C 1.4050 1.7076 -0.0926 C.2 1 UNL1111111111 0.5496 18 C 5.4320 -0.6431 0.5087 C.3 1 UNL1111111111 -0.0449 19 C 4.6113 -1.4286 1.5654 C.3 1 UNL1111111111 -0.0608 20 C 3.6047 1.5186 -3.3027 C.3 1 UNL1111111111 -0.4464 21 C 1.4814 0.2660 -2.7680 C.3 1 UNL1111111111 -0.4551 22 C 4.6913 0.6303 0.0640 C.2 1 UNL1111111111 0.5255 23 C -1.7623 2.1438 -0.3327 C.2 1 UNL1111111111 0.5129 24 C -1.3572 5.0722 -0.7861 C.3 1 UNL1111111111 -0.4634 25 C 0.0062 5.1788 1.3243 C.3 1 UNL1111111111 -0.4438 26 C 4.3610 -0.6142 2.8354 C.3 1 UNL1111111111 -0.4598 27 C 5.3354 -2.7362 1.8982 C.3 1 UNL1111111111 -0.4471 28 C -3.3079 -0.9734 0.9766 C.ar 1 UNL1111111111 -0.4387 29 C -2.7336 -1.7476 -0.0717 C.ar 1 UNL1111111111 0.0770 30 C -1.5574 -2.4824 0.2126 C.ar 1 UNL1111111111 -0.0691 31 C -0.9553 -3.2609 -0.8256 C.ar 1 UNL1111111111 0.1591 32 C -2.7542 -0.9655 2.2358 C.ar 1 UNL1111111111 -0.0142 33 C -3.2761 -1.8165 -1.3857 C.ar 1 UNL1111111111 -0.2074 34 C -0.9900 -2.4370 1.5143 C.ar 1 UNL1111111111 -0.0369 35 C -1.5866 -1.7101 2.5120 C.ar 1 UNL1111111111 -0.2184 36 C -1.4833 -3.2746 -2.0971 C.ar 1 UNL1111111111 -0.2486 37 C -2.6588 -2.5434 -2.3699 C.ar 1 UNL1111111111 -0.0930 38 C -0.0380 -5.4570 -0.4570 C.3 1 UNL1111111111 -0.2684 39 C 1.3715 -3.6404 -1.3158 C.3 1 UNL1111111111 -0.2662 40 H 3.2851 2.5572 -0.7910 H 1 UNL1111111111 0.1923 41 H 1.7240 2.4137 -2.7440 H 1 UNL1111111111 0.1268 42 H -0.5253 2.4634 1.4324 H 1 UNL1111111111 0.1965 43 H -2.0151 4.4385 1.1785 H 1 UNL1111111111 0.1326 44 H 0.6597 3.3353 -1.1811 H 1 UNL1111111111 0.3162 45 H 2.9236 -0.3961 -0.3939 H 1 UNL1111111111 0.3239 46 H 5.5638 -1.2987 -0.3966 H 1 UNL1111111111 0.1619 47 H 3.6176 -1.6856 1.1142 H 1 UNL1111111111 0.1349 48 H 4.2269 0.6399 -3.0984 H 1 UNL1111111111 0.1548 49 H 3.3800 1.5200 -4.3748 H 1 UNL1111111111 0.1444 50 H 4.2196 2.4017 -3.0911 H 1 UNL1111111111 0.1491 51 H 2.0320 -0.6600 -2.5792 H 1 UNL1111111111 0.1439 52 H 0.5613 0.2446 -2.1651 H 1 UNL1111111111 0.1628 53 H 1.1652 0.2451 -3.8184 H 1 UNL1111111111 0.1521 54 H -1.8244 6.0567 -0.6571 H 1 UNL1111111111 0.1544 55 H -0.4420 5.2309 -1.3654 H 1 UNL1111111111 0.1521 56 H -2.0366 4.4736 -1.4049 H 1 UNL1111111111 0.1536 57 H 0.9654 5.1678 0.7892 H 1 UNL1111111111 0.1623 58 H 0.1914 4.7483 2.3160 H 1 UNL1111111111 0.1508 59 H -0.2784 6.2273 1.4607 H 1 UNL1111111111 0.1471 60 H 5.2870 -0.4126 3.3836 H 1 UNL1111111111 0.1470 61 H 3.8839 0.3509 2.6219 H 1 UNL1111111111 0.1562 62 H 3.6948 -1.1572 3.5177 H 1 UNL1111111111 0.1518 63 H 6.3649 -2.5413 2.2321 H 1 UNL1111111111 0.1660 64 H 4.8289 -3.2859 2.6966 H 1 UNL1111111111 0.1418 65 H 5.4040 -3.3945 1.0265 H 1 UNL1111111111 0.1400 66 H -3.2554 2.6940 1.0593 H 1 UNL1111111111 0.3275 67 H 7.2499 0.3035 0.3140 H 1 UNL1111111111 0.2601 68 H 6.7574 0.1980 1.8581 H 1 UNL1111111111 0.2548 69 H -3.8541 1.2137 -1.2568 H 1 UNL1111111111 0.3084 70 H -3.1898 -0.3773 3.0558 H 1 UNL1111111111 0.1734 71 H -4.2160 -1.3145 -1.6347 H 1 UNL1111111111 0.1941 72 H -0.0650 -2.9937 1.6992 H 1 UNL1111111111 0.1771 73 H -1.1621 -1.6818 3.5126 H 1 UNL1111111111 0.1586 74 H -1.0204 -3.8523 -2.8926 H 1 UNL1111111111 0.1584 75 H -3.0784 -2.5791 -3.3762 H 1 UNL1111111111 0.1559 76 H -0.8616 -5.6727 0.2424 H 1 UNL1111111111 0.1509 77 H -0.3065 -5.8660 -1.4412 H 1 UNL1111111111 0.1248 78 H 0.8582 -5.9829 -0.0908 H 1 UNL1111111111 0.1500 79 H 1.2889 -3.9957 -2.3517 H 1 UNL1111111111 0.1227 80 H 1.4761 -2.5425 -1.3317 H 1 UNL1111111111 0.1484 81 H 2.2899 -4.0575 -0.8708 H 1 UNL1111111111 0.1509 @BOND 1 1 5 2 2 1 6 2 3 1 11 1 4 1 28 1 5 2 17 2 6 3 22 2 7 4 23 2 8 7 15 1 9 7 17 am 10 7 44 1 11 8 13 1 12 8 22 am 13 8 45 1 14 9 11 1 15 9 23 am 16 9 66 1 17 10 18 1 18 10 67 1 19 10 68 1 20 11 69 1 21 12 31 1 22 12 38 1 23 12 39 1 24 13 14 1 25 13 17 1 26 13 40 1 27 14 20 1 28 14 21 1 29 14 41 1 30 15 16 1 31 15 23 1 32 15 42 1 33 16 24 1 34 16 25 1 35 16 43 1 36 18 19 1 37 18 22 1 38 18 46 1 39 19 26 1 40 19 27 1 41 19 47 1 42 20 48 1 43 20 49 1 44 20 50 1 45 21 51 1 46 21 52 1 47 21 53 1 48 24 54 1 49 24 55 1 50 24 56 1 51 25 57 1 52 25 58 1 53 25 59 1 54 26 60 1 55 26 61 1 56 26 62 1 57 27 63 1 58 27 64 1 59 27 65 1 60 28 29 ar 61 28 32 ar 62 29 30 ar 63 29 33 ar 64 30 31 ar 65 30 34 ar 66 31 36 ar 67 32 35 ar 68 32 70 1 69 33 37 ar 70 33 71 1 71 34 35 ar 72 34 72 1 73 35 73 1 74 36 37 ar 75 36 74 1 76 37 75 1 77 38 76 1 78 38 77 1 79 38 78 1 80 39 79 1 81 39 80 1 82 39 81 1