@MOLECULE 5-{1-[2-(1h-imidazol-4-yl)ethyl]-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-yl}-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate 40 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.0545 -0.6163 -2.1785 C.1 1 UNL1 -0.4011 2 C -3.4584 -0.4407 -1.0906 C.3 1 UNL1 0.2038 3 C -2.8098 -0.2586 0.0868 C.3 1 UNL1 -0.0206 4 C -4.6788 -0.7896 -3.3068 C.1 1 UNL1 0.4935 5 C -2.0489 0.8463 0.3791 C.3 1 UNL1 -0.3959 6 C -2.9924 -1.3784 1.1514 C.3 1 UNL1 0.1648 7 C -2.2782 -2.6729 0.8638 C.2 1 UNL1 0.0244 8 C -1.0100 -2.9438 0.9503 C.3 1 UNL1 0.1021 9 C -2.7383 -0.7165 2.3866 C.2 1 UNL1 -0.0961 10 C -2.0312 0.2728 2.6355 C.2 1 UNL1 -0.0301 11 C 0.1854 -2.3066 1.4662 C.3 1 UNL1 0.1486 12 C -1.3442 1.1801 1.7504 C.3 1 UNL1 0.3393 13 C 1.1009 1.4946 0.8375 C.2 1 UNL1 -0.0385 14 C 0.9311 2.7006 -0.0345 C.2 1 UNL1 -0.1070 15 C -4.8353 -3.2670 0.6306 C.3 1 UNL1 0.5454 16 C -3.6892 -2.6490 0.7846 C.2 1 UNL1 -0.6164 17 C 2.0539 3.2264 -0.5980 C.2 1 UNL1 0.0661 18 C -0.3625 3.3499 -0.3290 C.2 1 UNL1 0.2295 19 O -1.6845 2.5522 1.7396 O.3 1 UNL1 -0.5805 20 S -2.0627 2.5876 -0.0176 S.3 1 UNL1 1.5174 21 O -3.2666 3.3487 -0.1261 O.3 1 UNL1 -0.6671 22 O -0.3934 4.4270 -0.8599 O.2 1 UNL1 -0.3443 23 O -5.2325 -0.9458 -4.3101 O.3 1 UNL1 -0.1775 24 C 2.4477 0.8991 0.8150 C.3 1 UNL1 0.0172 25 C 3.3430 2.8940 -0.3662 C.3 1 UNL1 -0.0399 26 C 3.4555 1.8495 0.6141 C.3 1 UNL1 0.0077 27 C 2.8520 -0.3519 0.3115 C.3 1 UNL1 0.0846 28 N 4.0440 -0.5212 -0.4709 N.am 1 UNL1 -0.5032 29 C 4.8936 0.6451 -0.9540 C.2 1 UNL1 0.5955 30 C 4.4127 1.8834 -0.3864 C.3 1 UNL1 -0.1085 31 C 4.4344 -1.7098 -1.0038 C.3 1 UNL1 0.3506 32 C 2.0230 -1.5171 0.4263 C.2 1 UNL1 0.1280 33 C 2.2654 -2.7481 -0.1138 C.2 1 UNL1 -0.2989 34 N 0.2585 -3.5467 0.7576 N.3 1 UNL1 -0.4201 35 C 1.2019 -3.8186 -0.1856 C.3 1 UNL1 0.3966 36 N 4.0449 -4.0604 -1.0789 N.2 1 UNL1 -0.1088 37 C 3.5729 -2.9453 -0.7418 C.2 1 UNL1 -0.0889 38 C 0.0841 1.0551 1.5580 C.2 1 UNL1 0.0304 39 O 5.8090 0.4085 -1.6720 O.2 1 UNL1 -0.2629 40 O 0.8986 -1.2285 1.1838 O.2 1 UNL1 -0.1393 @BOND 1 23 4 1 2 4 1 3 3 1 2 1 4 39 29 2 5 2 3 1 6 36 37 2 7 31 37 1 8 31 28 1 9 29 28 am 10 29 30 1 11 22 18 2 12 37 33 1 13 17 25 1 14 17 14 2 15 28 27 1 16 30 25 1 17 30 26 1 18 25 26 1 19 18 14 1 20 18 20 1 21 35 33 1 22 35 34 1 23 21 20 1 24 33 32 2 25 14 13 1 26 20 5 1 27 20 19 1 28 3 5 1 29 3 6 1 30 27 32 1 31 27 24 1 32 5 12 1 33 32 40 1 34 26 24 1 35 15 16 1 36 34 8 1 37 34 11 1 38 16 7 2 39 16 6 1 40 24 13 1 41 13 38 2 42 7 8 1 43 7 6 1 44 8 11 1 45 6 9 1 46 40 11 1 47 38 12 1 48 19 12 1 49 12 10 1 50 9 10 2