@MOLECULE s-{2-[(1-hydroxy-2,2,5,5-tetramethyl-3-pyrrolidinyl)amino]-2-oxoethyl}-l-cysteinyl-l-tyrosinamide 68 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.3315 2.8385 0.9123 S.3 1 UNL1 0.0389 2 O 5.4666 -2.0983 1.1807 O.3 1 UNL1 -0.3616 3 O 3.4084 3.1572 -0.8769 O.2 1 UNL1 -0.5303 4 O -2.9434 1.1686 1.6100 O.2 1 UNL1 -0.5356 5 O 0.3773 -1.5374 0.1407 O.2 1 UNL1 -0.5650 6 O -7.9816 -0.4973 -0.8184 O.3 1 UNL1 -0.4682 7 N 5.4225 -1.0652 0.2187 N.4 1 UNL1 -0.2839 8 N 2.5522 1.0655 -0.7244 N.am 1 UNL1 -0.5956 9 N -1.8450 0.0081 0.0082 N.am 1 UNL1 -0.5847 10 N -3.4846 3.0573 -0.5592 N.3 1 UNL1 -0.6243 11 N -0.2307 -2.4757 2.0845 N.am 1 UNL1 -0.6657 12 C 4.3811 -0.0715 0.6366 C.3 1 UNL1 0.1800 13 C 5.0317 -1.6712 -1.1013 C.3 1 UNL1 0.2317 14 C 3.8825 0.4679 -0.7572 C.3 1 UNL1 0.0519 15 C 3.9068 -0.7692 -1.6746 C.3 1 UNL1 -0.3622 16 C 5.0854 1.0353 1.4258 C.3 1 UNL1 -0.4605 17 C 3.2424 -0.6787 1.4574 C.3 1 UNL1 -0.4877 18 C 4.5489 -3.1201 -0.9953 C.3 1 UNL1 -0.4722 19 C 6.2930 -1.5903 -1.9770 C.3 1 UNL1 -0.4582 20 C 2.4367 2.4381 -0.7602 C.2 1 UNL1 0.5970 21 C 1.0330 2.9933 -0.7663 C.3 1 UNL1 -0.4428 22 C -1.3645 3.4374 0.6071 C.3 1 UNL1 -0.3456 23 C -2.1709 2.4631 -0.2620 C.3 1 UNL1 -0.0051 24 C -2.3485 1.1688 0.5526 C.2 1 UNL1 0.5285 25 C -1.9434 -1.2431 0.7546 C.3 1 UNL1 0.0152 26 C -2.7287 -2.3203 -0.0316 C.3 1 UNL1 -0.2984 27 C -4.1312 -1.8559 -0.2740 C.ar 1 UNL1 -0.0622 28 C -0.5032 -1.7401 0.9562 C.2 1 UNL1 0.5694 29 C -4.4518 -1.2002 -1.4627 C.ar 1 UNL1 -0.0886 30 C -5.1170 -2.0609 0.7002 C.ar 1 UNL1 -0.0930 31 C -5.7428 -0.7289 -1.6868 C.ar 1 UNL1 -0.3143 32 C -6.4109 -1.6017 0.5003 C.ar 1 UNL1 -0.2330 33 C -6.7018 -0.9341 -0.6956 C.ar 1 UNL1 0.2875 34 H 4.6207 1.2329 -1.1275 H 1 UNL1 0.1823 35 H 2.9338 -1.2909 -1.6688 H 1 UNL1 0.1593 36 H 4.0928 -0.4883 -2.7225 H 1 UNL1 0.1568 37 H 4.4707 1.9450 1.4513 H 1 UNL1 0.1623 38 H 6.0473 1.3033 0.9687 H 1 UNL1 0.1610 39 H 5.2896 0.7282 2.4560 H 1 UNL1 0.1481 40 H 2.6528 -1.3887 0.8628 H 1 UNL1 0.1617 41 H 2.5636 0.0950 1.8317 H 1 UNL1 0.1563 42 H 3.6315 -1.2260 2.3241 H 1 UNL1 0.1592 43 H 4.2385 -3.5077 -1.9702 H 1 UNL1 0.1460 44 H 3.6994 -3.2085 -0.3066 H 1 UNL1 0.1540 45 H 5.3419 -3.7714 -0.6078 H 1 UNL1 0.1611 46 H 6.6533 -0.5568 -2.0530 H 1 UNL1 0.1573 47 H 6.1045 -1.9633 -2.9865 H 1 UNL1 0.1425 48 H 7.1079 -2.1769 -1.5377 H 1 UNL1 0.1536 49 H 1.7736 0.4586 -0.4922 H 1 UNL1 0.3308 50 H 6.3594 -1.9424 1.6002 H 1 UNL1 0.2954 51 H 0.4115 2.4804 -1.5203 H 1 UNL1 0.1693 52 H 1.0680 4.0633 -1.0697 H 1 UNL1 0.1959 53 H -1.8395 3.5665 1.6048 H 1 UNL1 0.1897 54 H -1.3617 4.4464 0.1489 H 1 UNL1 0.1833 55 H -1.6595 2.2726 -1.2418 H 1 UNL1 0.1538 56 H -2.4666 -1.0530 1.7357 H 1 UNL1 0.1918 57 H -1.2605 -0.0099 -0.8151 H 1 UNL1 0.3274 58 H -2.2108 -2.5515 -0.9860 H 1 UNL1 0.1663 59 H -2.7268 -3.2733 0.5374 H 1 UNL1 0.1584 60 H -4.0222 2.4835 -1.1873 H 1 UNL1 0.2551 61 H -4.0297 3.2116 0.2784 H 1 UNL1 0.2687 62 H -3.6886 -1.0553 -2.2258 H 1 UNL1 0.1506 63 H -4.8669 -2.5818 1.6240 H 1 UNL1 0.1528 64 H -5.9929 -0.2215 -2.6113 H 1 UNL1 0.1604 65 H -7.1916 -1.7457 1.2440 H 1 UNL1 0.1781 66 H -0.8811 -2.6021 2.8276 H 1 UNL1 0.3065 67 H 0.7100 -2.7838 2.2486 H 1 UNL1 0.3154 68 H -8.1541 -0.0775 -1.6955 H 1 UNL1 0.3272 @BOND 1 47 19 1 2 36 15 1 3 64 31 1 4 62 29 1 5 46 19 1 6 19 48 1 7 19 13 1 8 43 18 1 9 68 6 1 10 31 29 ar 11 31 33 ar 12 15 35 1 13 15 13 1 14 15 14 1 15 51 21 1 16 29 27 ar 17 55 23 1 18 60 10 1 19 34 14 1 20 13 18 1 21 13 7 1 22 52 21 1 23 18 45 1 24 18 44 1 25 58 26 1 26 3 20 2 27 6 33 1 28 57 9 1 29 21 20 1 30 21 1 1 31 20 8 am 32 14 8 1 33 14 12 1 34 8 49 1 35 33 32 ar 36 10 23 1 37 10 61 1 38 27 26 1 39 27 30 ar 40 23 24 1 41 23 22 1 42 26 59 1 43 26 25 1 44 9 24 am 45 9 25 1 46 5 28 2 47 54 22 1 48 7 12 1 49 7 2 1 50 32 30 ar 51 32 65 1 52 24 4 2 53 22 1 1 54 22 53 1 55 12 16 1 56 12 17 1 57 30 63 1 58 25 28 1 59 25 56 1 60 40 17 1 61 28 11 am 62 38 16 1 63 2 50 1 64 16 37 1 65 16 39 1 66 17 41 1 67 17 42 1 68 11 67 1 69 11 66 1