Ok 3rub Ok 7 No 1 Yes 1 40 16 This assembly appears to be stable in solution. 147.39434846 120453.28633 95283.719477 53.160791116 17955.920322 -695.81163147 2 4 8 1 A8B8a24 L[8]S[8][SO4][24] L 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:492 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:490 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:491 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 L 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:492 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:490 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:491 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 S 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 S 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 L 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 [SO4]L:492 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 [SO4]L:490 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 [SO4]L:491 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 L -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 [SO4]L:492 -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 [SO4]L:490 -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 [SO4]L:491 -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 S 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 S -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 L 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 [SO4]L:492 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 [SO4]L:490 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 [SO4]L:491 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 L 1 0 0 1.7524695696e-14 0 -1 0 148.7 0 0 -1 137.5 1 0 0 0 0 -1 0 1 0 0 -1 1 6_566 [SO4]L:492 1 0 0 1.7524695696e-14 0 -1 0 148.7 0 0 -1 137.5 1 0 0 0 0 -1 0 1 0 0 -1 1 6_566 [SO4]L:490 1 0 0 1.7524695696e-14 0 -1 0 148.7 0 0 -1 137.5 1 0 0 0 0 -1 0 1 0 0 -1 1 6_566 [SO4]L:491 1 0 0 1.7524695696e-14 0 -1 0 148.7 0 0 -1 137.5 1 0 0 0 0 -1 0 1 0 0 -1 1 6_566 S 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 S 1 0 0 1.7524695696e-14 0 -1 0 148.7 0 0 -1 137.5 1 0 0 0 0 -1 0 1 0 0 -1 1 6_566 L -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 [SO4]L:492 -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 [SO4]L:490 -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 [SO4]L:491 -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 L 0 -1 0 148.7 -1 0 0 148.7 0 0 -1 137.5 0 -1 0 1 -1 0 0 1 0 0 -1 1 8_666 [SO4]L:492 0 -1 0 148.7 -1 0 0 148.7 0 0 -1 137.5 0 -1 0 1 -1 0 0 1 0 0 -1 1 8_666 [SO4]L:490 0 -1 0 148.7 -1 0 0 148.7 0 0 -1 137.5 0 -1 0 1 -1 0 0 1 0 0 -1 1 8_666 [SO4]L:491 0 -1 0 148.7 -1 0 0 148.7 0 0 -1 137.5 0 -1 0 1 -1 0 0 1 0 0 -1 1 8_666 S -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 S 0 -1 0 148.7 -1 0 0 148.7 0 0 -1 137.5 0 -1 0 1 -1 0 0 1 0 0 -1 1 8_666 1 4 0 2 8 0 3 8 8 4 0 0 5 8 8 6 4 4 7 8 8 8 8 8 9 8 0 10 8 0 11 8 0 12 8 0 13 0 0 2 Yes 2 20 8 This assembly appears to be stable in solution. 15.193507357 77387.203617 30481.299286 47.156075818 6821.9006294 -251.36407081 4 4 4 0 A4B4a12 L[4]S[4][SO4][12] L 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:492 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:490 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:491 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 S 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 L 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 [SO4]L:492 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 [SO4]L:490 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 [SO4]L:491 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 S 0 -1 0 148.7 1 0 0 0 0 0 1 0 0 -1 0 1 1 0 0 0 0 0 1 0 3_655 L 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 [SO4]L:492 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 [SO4]L:490 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 [SO4]L:491 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 S 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 L -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 [SO4]L:492 -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 [SO4]L:490 -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 [SO4]L:491 -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 S -1 0 0 148.7 0 -1 0 148.7 0 0 1 0 -1 0 0 1 0 -1 0 1 0 0 1 0 2_665 1 0 0 2 4 0 3 4 4 4 0 0 5 4 4 6 0 0 7 4 4 8 0 0 9 4 0 10 4 0 11 4 0 12 0 0 13 0 0 3 Yes 3 10 4 This assembly appears to be stable in solution. 16.78088322 39091.281743 14842.969708 25.765682163 3551.8894954 -150.50471841 8 3 2 0 A2B2a6 L[2]S[2][SO4][6] L 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:492 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:490 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:491 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 L 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:492 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:490 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:491 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 S 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 S 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 1 1 0 2 2 2 3 0 0 4 0 0 5 0 0 6 0 0 7 0 0 8 0 0 9 2 0 10 2 0 11 2 0 12 2 0 13 0 0 4 Yes 4 10 4 This assembly appears to be stable in solution. 3.9762688596 43359.442906 10574.808545 14.987724448 1078.0297658 -127.1286815 8 2 2 0 A2B2a6 L[2]S[2][SO4][6] L 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:492 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:490 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:491 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 S 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 L -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 [SO4]L:492 -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 [SO4]L:490 -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 [SO4]L:491 -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 S -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 1 0 0 2 2 0 3 0 0 4 0 0 5 0 0 6 1 1 7 0 0 8 2 2 9 2 0 10 2 0 11 2 0 12 0 0 13 0 0 5 No 5 10 4 This assembly appears to be stable in solution. 2.0520956564 41443.895273 12490.356178 25.462918348 2375.5827302 -140.21359392 8 3 2 0 A2B2a6 L[2]S[2][SO4][6] L 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:492 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:490 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:491 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 L 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:492 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:490 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:491 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 S 0 1 0 9.1052489517e-15 -1 0 0 148.7 0 0 1 0 0 1 0 0 -1 0 0 1 0 0 1 0 4_565 S -1 0 0 148.7 0 1 0 8.4194467441e-15 0 0 -1 137.5 -1 0 0 1 0 1 0 0 0 0 -1 1 5_656 1 1 0 2 0 0 3 2 2 4 0 0 5 0 0 6 0 0 7 0 0 8 2 2 9 2 0 10 2 0 11 2 0 12 2 0 13 0 0 6 Yes 6 5 2 This assembly appears to be stable in solution. 8.620700044 22757.751219 4209.3745068 12.652582647 1775.9447477 -57.340631862 16 2 1 0 ABa3 LS[SO4][3] L 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:492 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:490 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:491 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 S 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 1 0 0 2 1 1 3 0 0 4 0 0 5 0 0 6 0 0 7 0 0 8 0 0 9 1 0 10 1 0 11 1 0 12 0 0 13 0 0 7 Yes 7 8 2 This assembly appears to be stable in solution. 55.551961184 29354.455557 7739.1907175 15.090313929 3212.1103474 -129.29611969 8 2 2 0 A2a6 L[2][SO4][6] L 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:492 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:490 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 [SO4]L:491 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 L 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:492 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:490 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 [SO4]L:491 0 1 0 8.4194467441e-15 1 0 0 8.4194467441e-15 0 0 -1 137.5 0 1 0 0 1 0 0 0 0 0 -1 1 7_556 1 1 1 2 0 0 3 0 0 4 0 0 5 0 0 6 0 0 7 0 0 8 0 0 9 2 0 10 2 0 11 2 0 12 2 2 13 0 0 8 1 1 Analysis of crystal interfaces has not revealed any strong indications that this assembly may form stable complexes in solution. -0 8420.3025886 0 0 0 0 16 1 1 0 A S S 1 0 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 1_555 1 0 0 2 0 0 3 0 0 4 0 0 5 0 0 6 0 0 7 0 0 8 0 0 9 0 0 10 0 0 11 0 0 12 0 0 13 0 0