@MOLECULE (2e,4e,6e)-n-[(1s)-3-({(2s)-3-methyl-1-[(3r,4s)-4-methyl-2,5-dioxo-3-pyrrolidinyl]-1-oxo-2-butanyl}amino)-3-oxo-1-phenylpropyl]-2,4,6-octatrienamide 68 69 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.4171 1.5649 0.8279 O.2 1 UNL1111111111 -0.4050 2 O 1.6719 1.7498 -2.3962 O.2 1 UNL1111111111 -0.4270 3 O 4.7808 3.3444 0.5155 O.2 1 UNL1111111111 -0.4501 4 O -2.3723 1.8643 -2.2871 O.2 1 UNL1111111111 -0.5296 5 O -0.8236 -1.9427 1.4852 O.2 1 UNL1111111111 -0.5314 6 N -2.1392 1.8786 -0.0348 N.am 1 UNL1111111111 -0.5845 7 N 3.4458 2.4027 -1.0907 N.am 1 UNL1111111111 -0.6407 8 N -1.4920 -1.4595 -0.6169 N.am 1 UNL1111111111 -0.6343 9 C 1.3165 3.2927 -0.5139 C.3 1 UNL1111111111 -0.3359 10 C 2.3487 3.7416 0.5512 C.3 1 UNL1111111111 -0.1532 11 C -1.2405 3.0257 -0.0732 C.3 1 UNL1111111111 -0.0266 12 C 0.1889 2.5208 0.1363 C.2 1 UNL1111111111 0.4276 13 C -1.5515 4.0639 1.0454 C.3 1 UNL1111111111 -0.0740 14 C 2.0893 2.3763 -1.4646 C.2 1 UNL1111111111 0.5962 15 C 3.6855 3.1901 0.0545 C.2 1 UNL1111111111 0.5791 16 C 2.4169 5.2457 0.7398 C.3 1 UNL1111111111 -0.4433 17 C -2.9324 4.6754 0.8038 C.3 1 UNL1111111111 -0.4522 18 C -1.4921 3.4563 2.4484 C.3 1 UNL1111111111 -0.4609 19 C -2.5688 1.3107 -1.2260 C.2 1 UNL1111111111 0.5957 20 C -3.3783 0.0369 -1.1259 C.3 1 UNL1111111111 -0.4030 21 C -2.8040 -1.0120 -0.1514 C.3 1 UNL1111111111 0.1063 22 C -3.8023 -2.1468 -0.0326 C.ar 1 UNL1111111111 -0.0334 23 C -4.7783 -2.0510 0.9627 C.ar 1 UNL1111111111 -0.1608 24 C -3.7681 -3.2579 -0.8716 C.ar 1 UNL1111111111 -0.1443 25 C -0.5525 -1.9201 0.3008 C.2 1 UNL1111111111 0.6086 26 C -5.7175 -3.0662 1.1160 C.ar 1 UNL1111111111 -0.1409 27 C -4.7091 -4.2744 -0.7135 C.ar 1 UNL1111111111 -0.1444 28 C -5.6824 -4.1799 0.2783 C.ar 1 UNL1111111111 -0.1532 29 C 0.7235 -2.3604 -0.2953 C.2 1 UNL1111111111 -0.3083 30 C 1.6818 -2.9235 0.4580 C.2 1 UNL1111111111 -0.0188 31 C 2.9274 -3.3929 -0.1272 C.2 1 UNL1111111111 -0.2053 32 C 3.9312 -3.9152 0.6024 C.2 1 UNL1111111111 -0.0941 33 C 5.1514 -4.4034 -0.0195 C.2 1 UNL1111111111 -0.2188 34 C 6.1818 -4.8983 0.6816 C.2 1 UNL1111111111 -0.0822 35 C 7.4305 -5.3768 0.0318 C.3 1 UNL1111111111 -0.4560 36 H 0.9304 4.1633 -1.0928 H 1 UNL1111111111 0.1951 37 H 2.1313 3.2479 1.5402 H 1 UNL1111111111 0.1915 38 H -1.3397 3.5328 -1.0781 H 1 UNL1111111111 0.1916 39 H -0.7812 4.8721 0.9672 H 1 UNL1111111111 0.1314 40 H 2.6119 5.7847 -0.1954 H 1 UNL1111111111 0.1574 41 H 1.4876 5.6450 1.1648 H 1 UNL1111111111 0.1537 42 H 3.2275 5.5159 1.4362 H 1 UNL1111111111 0.1712 43 H -2.1275 1.3444 0.8265 H 1 UNL1111111111 0.3245 44 H 4.1643 1.8818 -1.5673 H 1 UNL1111111111 0.3407 45 H -3.2035 5.3791 1.5984 H 1 UNL1111111111 0.1449 46 H -2.9804 5.2152 -0.1476 H 1 UNL1111111111 0.1470 47 H -3.7101 3.8988 0.7754 H 1 UNL1111111111 0.1614 48 H -1.5113 4.2378 3.2161 H 1 UNL1111111111 0.1461 49 H -0.5842 2.8623 2.6145 H 1 UNL1111111111 0.1613 50 H -2.3472 2.7984 2.6428 H 1 UNL1111111111 0.1536 51 H -3.4644 -0.3986 -2.1487 H 1 UNL1111111111 0.1915 52 H -4.4214 0.2884 -0.8389 H 1 UNL1111111111 0.1853 53 H -2.6576 -0.5671 0.8781 H 1 UNL1111111111 0.1665 54 H -1.3107 -1.4339 -1.6045 H 1 UNL1111111111 0.3179 55 H -4.7988 -1.1920 1.6314 H 1 UNL1111111111 0.1512 56 H -3.0045 -3.3436 -1.6423 H 1 UNL1111111111 0.1551 57 H -6.4759 -2.9927 1.8924 H 1 UNL1111111111 0.1476 58 H -4.6812 -5.1438 -1.3675 H 1 UNL1111111111 0.1487 59 H -6.4120 -4.9759 0.4061 H 1 UNL1111111111 0.1485 60 H 0.8450 -2.2016 -1.3647 H 1 UNL1111111111 0.1668 61 H 1.5474 -3.0570 1.5373 H 1 UNL1111111111 0.1687 62 H 3.0109 -3.3062 -1.2134 H 1 UNL1111111111 0.1577 63 H 3.8670 -3.9955 1.6893 H 1 UNL1111111111 0.1502 64 H 5.1931 -4.3406 -1.1084 H 1 UNL1111111111 0.1543 65 H 6.1634 -4.9731 1.7687 H 1 UNL1111111111 0.1433 66 H 7.6189 -6.4360 0.2620 H 1 UNL1111111111 0.1590 67 H 7.4096 -5.2835 -1.0633 H 1 UNL1111111111 0.1549 68 H 8.3048 -4.8090 0.3848 H 1 UNL1111111111 0.1602 @BOND 1 1 12 2 2 2 14 2 3 3 15 2 4 4 19 2 5 5 25 2 6 6 11 1 7 6 19 am 8 6 43 1 9 7 14 am 10 7 15 am 11 7 44 1 12 8 21 1 13 8 25 am 14 8 54 1 15 9 10 1 16 9 12 1 17 9 14 1 18 9 36 1 19 10 15 1 20 10 16 1 21 10 37 1 22 11 12 1 23 11 13 1 24 11 38 1 25 13 17 1 26 13 18 1 27 13 39 1 28 16 40 1 29 16 41 1 30 16 42 1 31 17 45 1 32 17 46 1 33 17 47 1 34 18 48 1 35 18 49 1 36 18 50 1 37 19 20 1 38 20 21 1 39 20 51 1 40 20 52 1 41 21 22 1 42 21 53 1 43 22 23 ar 44 22 24 ar 45 23 26 ar 46 23 55 1 47 24 27 ar 48 24 56 1 49 25 29 1 50 26 28 ar 51 26 57 1 52 27 28 ar 53 27 58 1 54 28 59 1 55 29 30 2 56 29 60 1 57 30 31 1 58 30 61 1 59 31 32 2 60 31 62 1 61 32 33 1 62 32 63 1 63 33 34 2 64 33 64 1 65 34 35 1 66 34 65 1 67 35 66 1 68 35 67 1 69 35 68 1