# 864 H2O molecules (LS SCF) # age commit (8n/12r/1t) (8n/6r/2t) (8n/4r/3t) (8n/3r/4t) (8n/2r/6t) (8n/1r/12t) -1 11a343 1137.0 1796.0 2267.0 2739.0 3785.0 7116.0 -6 7d74e2 1136.0 1837.0 2277.0 2801.0 3744.0 7257.0 -8 b10eef 1134.0 1789.0 2327.0 2802.0 3752.0 7190.0 -12 0a4d1b 1158.0 1828.0 2323.0 2777.0 3835.0 7123.0 -14 0afa15 1141.0 1830.0 2299.0 2778.0 3753.0 7214.0 -17 2de3de 1137.0 1802.0 2287.0 2775.0 3737.0 7165.0 -18 b5caab 1124.0 1851.0 2255.0 2746.0 3732.0 7153.0 -20 acd4b0 1129.0 1767.0 2275.0 2767.0 3670.0 7154.0 -22 19d2ef 1188.0 1819.0 2225.0 2776.0 3759.0 7201.0 -23 83ed01 1141.0 1828.0 2263.0 2768.0 3796.0 7146.0 -24 efbebd 1134.0 1854.0 2269.0 2745.0 3765.0 7098.0 -26 7c2627 1134.0 1826.0 2284.0 2768.0 3759.0 7135.0 -27 e3f64b 1136.0 1780.0 2288.0 2809.0 3694.0 7156.0 -30 67d2f8 1136.0 1856.0 2264.0 2799.0 3752.0 7151.0 -31 1525b0 1139.0 1826.0 2245.0 2778.0 3797.0 7191.0 -32 81d1c7 1141.0 1796.0 2232.0 2806.0 3741.0 7120.0 -34 c5411e 1136.0 1831.0 2348.0 2757.0 3743.0 7188.0 -36 ee725f 1141.0 1802.0 2336.0 2755.0 3720.0 7118.0 -37 be1f58 1141.0 1774.0 2309.0 2750.0 3794.0 7207.0 -40 984313 1136.0 1796.0 2233.0 2827.0 3764.0 7152.0 -42 3b1562 1141.0 1814.0 2241.0 2750.0 3744.0 7174.0 -43 1425fc 1137.0 1803.0 2294.0 2767.0 3756.0 7258.0 -47 20da4d 1162.0 1781.0 2288.0 2746.0 3802.0 7165.0 -49 e39d23 1129.0 1829.0 2294.0 2795.0 3804.0 7218.0 -53 374b73 1130.0 1837.0 2317.0 2780.0 3764.0 7151.0 -56 b1f098 1141.0 1791.0 2311.0 2769.0 3777.0 7185.0 -57 aeba16 1136.0 1855.0 2283.0 2774.0 3802.0 7152.0 -61 908860 1137.0 1795.0 2241.0 2753.0 3771.0 7247.0 -63 41b088 1137.0 1792.0 2247.0 2819.0 3751.0 7153.0 -67 3add49 1141.0 1825.0 2281.0 2733.0 3758.0 7199.0 -69 db3ef6 1137.0 1779.0 2255.0 2763.0 3751.0 7123.0 -72 6a2e66 1141.0 1805.0 2289.0 2802.0 3815.0 7198.0 -73 9dbea5 1141.0 1812.0 2280.0 2783.0 3804.0 7158.0 -78 34ef47 1136.0 1852.0 2323.0 2780.0 3752.0 7103.0 -79 632bbc 1136.0 1781.0 2295.0 2780.0 3795.0 7145.0 -82 b279b6 1136.0 1801.0 2311.0 2803.0 3788.0 7210.0 -86 adfb00 1141.0 1805.0 2256.0 2731.0 3769.0 7175.0 -87 1f285a 1132.0 1796.0 2215.0 2781.0 3797.0 7128.0 -88 b19582 1141.0 1780.0 2273.0 2765.0 3817.0 7156.0 -89 e7e05a 1141.0 1828.0 2292.0 2780.0 3749.0 7139.0 -91 1a2907 1136.0 1828.0 2235.0 2756.0 3740.0 7199.0 -92 e5fdd8 1141.0 1824.0 2296.0 2761.0 3794.0 7153.0 -94 b977e3 1136.0 1815.0 2289.0 2802.0 3693.0 7166.0 -95 10d586 1137.0 1783.0 2238.0 2801.0 3731.0 7247.0 -97 1b0cf2 1136.0 1841.0 2232.0 2774.0 3736.0 7213.0 -98 2ed94b 1136.0 1836.0 2259.0 2769.0 3748.0 7192.0 -100 f529a5 1137.0 1825.0 2230.0 2777.0 3734.0 7190.0 -102 58e3e0 1130.0 1813.0 2241.0 2745.0 3810.0 7252.0 -103 30f14b 1139.0 1800.0 2305.0 2780.0 3751.0 7146.0 -112 0de0cc 1137.0 1828.0 2281.0 2801.0 3761.0 7213.0 -114 330c21 1136.0 1829.0 2253.0 2760.0 3741.0 7147.0 -116 f7c187 1137.0 1796.0 2275.0 2756.0 3736.0 7165.0 -117 e3caab 1139.0 1826.0 2268.0 2776.0 3797.0 7135.0 -118 05e7fd 1157.0 1826.0 2289.0 2780.0 3762.0 7213.0 -120 ffcbeb 1141.0 1770.0 2246.0 2782.0 3710.0 7165.0 -121 0cb011 1137.0 1767.0 2265.0 2730.0 3738.0 7198.0 -124 aa4ada 1137.0 1814.0 2283.0 2766.0 3751.0 7244.0 -126 ae6dcb 1136.0 1794.0 2290.0 2777.0 3743.0 7190.0 -127 14aa9c 1141.0 1826.0 2288.0 2776.0 3759.0 7188.0 -128 4b070d 1136.0 1830.0 2308.0 2802.0 3806.0 7143.0 -129 5f6c7e 1137.0 1830.0 2304.0 2806.0 3797.0 7211.0 -130 cebb65 1157.0 1796.0 2253.0 2778.0 3797.0 7151.0 -136 ded727 1132.0 1854.0 2288.0 2802.0 3758.0 7193.0 -137 990486 1136.0 1854.0 2287.0 2732.0 3751.0 7206.0 -139 183cd1 1137.0 1796.0 2268.0 2807.0 3750.0 7163.0 -141 cdee4f 1137.0 1796.0 2273.0 2762.0 3752.0 7109.0 -143 220474 1141.0 1841.0 2253.0 2806.0 3766.0 7240.0 -144 dca71f 1139.0 1827.0 2288.0 2779.0 3785.0 7147.0 -145 083338 1162.0 1795.0 2281.0 2730.0 3738.0 7174.0 -146 dd7ddc 1136.0 1790.0 2281.0 2755.0 3841.0 7197.0 -148 9dbc35 1136.0 1828.0 2305.0 2748.0 3745.0 7146.0 -149 38a20d 1141.0 1861.0 2286.0 2723.0 3836.0 7198.0 -151 5d0137 1136.0 1826.0 2284.0 2781.0 3748.0 7154.0 -158 904d57 1136.0 1806.0 2298.0 2781.0 3777.0 7234.0 -159 45cb7b 1141.0 1895.0 2265.0 2800.0 3746.0 7160.0 -160 613b51 1141.0 1827.0 2250.0 2820.0 3786.0 7197.0 -164 541796 1136.0 1796.0 2302.0 2806.0 3751.0 7142.0 -165 0f4704 1136.0 1783.0 2274.0 2801.0 3735.0 7124.0 -171 9fa292 1141.0 1826.0 2281.0 2775.0 3791.0 7198.0 -172 47690d 1136.0 1796.0 2293.0 2795.0 3799.0 7160.0 -173 d3f223 1136.0 1796.0 2252.0 2796.0 3757.0 7197.0 -176 7d0f9b 1135.0 1777.0 2230.0 2743.0 3757.0 7229.0 -177 41a403 1128.0 1793.0 2286.0 2744.0 3755.0 7199.0 -178 728ff8 1135.0 1790.0 2286.0 2818.0 3737.0 7129.0 -180 7eeddb 1135.0 1795.0 2280.0 2774.0 3762.0 7196.0 -191 ac0226 1124.0 1782.0 2279.0 2804.0 3802.0 6968.0 -193 99544d 1132.0 1766.0 2206.0 2793.0 3748.0 7025.0 -194 38c209 1133.0 1731.0 2206.0 2709.0 3775.0 6980.0 -195 14e431 1123.0 1766.0 2224.0 2720.0 3755.0 6994.0 -197 26e599 1133.0 1798.0 2260.0 2773.0 3689.0 6960.0 -198 577b67 1123.0 1771.0 2235.0 2730.0 3756.0 7028.0 -205 1aa3ad 1132.0 1799.0 2203.0 2693.0 3730.0 7018.0 -229 54edd9 1141.0 1774.0 2287.0 2726.0 3745.0 7032.0 -235 75a566 1141.0 1779.0 2243.0 2710.0 3772.0 7038.0 -244 48d369 1132.0 1790.0 2283.0 2710.0 3730.0 6975.0 -245 644f5a 1132.0 1762.0 2245.0 2753.0 3750.0 6962.0 -246 8485e0 1132.0 1779.0 2212.0 2687.0 3792.0 6969.0 -248 9e76ba 1132.0 1775.0 2240.0 2752.0 3745.0 7038.0 -249 96ef31 1141.0 1771.0 2245.0 2758.0 3747.0 7040.0 -251 c5db04 1132.0 1775.0 2220.0 2725.0 3746.0 7004.0 -252 38b08a 1132.0 1758.0 2198.0 2753.0 3748.0 6958.0 -254 090414 1141.0 1776.0 2211.0 2725.0 3776.0 6999.0 -256 c07896 1132.0 1775.0 2244.0 2710.0 3772.0 6953.0 -260 bf6c9a 1141.0 1775.0 2245.0 2720.0 3791.0 6990.0 -261 ad61d0 1129.0 1805.0 2213.0 2727.0 3743.0 7052.0 -262 d8a418 1141.0 1774.0 2273.0 2751.0 3737.0 7088.0 -264 fdb0e7 1132.0 1779.0 2198.0 2726.0 3782.0 6996.0 -265 7123f6 1141.0 1782.0 2224.0 2731.0 3782.0 7037.0 -267 9dc685 1141.0 1807.0 2242.0 2713.0 3697.0 7036.0 -269 2b6ea5 1141.0 1775.0 2212.0 2701.0 3756.0 6978.0 -274 6157ca 1141.0 1774.0 2226.0 2678.0 3764.0 7080.0 -276 4955cf 1132.0 1770.0 2228.0 2726.0 3738.0 7031.0 -280 c75b50 1141.0 1780.0 2261.0 2728.0 3744.0 7030.0 -301 03c4f5 1132.0 1773.0 2223.0 2741.0 3746.0 7047.0 -310 668fef 1132.0 1761.0 2254.0 2731.0 3735.0 6958.0 -312 f5d781 1141.0 1807.0 2253.0 2722.0 3764.0 6984.0 -313 b26301 1141.0 1775.0 2252.0 2722.0 3685.0 6978.0 -318 845a3a 1132.0 1775.0 2285.0 2726.0 3713.0 7057.0 -319 443e0b 1132.0 1790.0 2233.0 2733.0 3797.0 6940.0 -324 bbd14a 1141.0 1758.0 2287.0 2709.0 3716.0 7079.0 -328 662b2c 1141.0 1742.0 2295.0 2711.0 3784.0 6999.0 -329 183bfa 1132.0 1779.0 2216.0 2762.0 3735.0 6944.0 -330 65a7a0 1132.0 1775.0 2237.0 2704.0 3783.0 6984.0 -338 39fc2f 1132.0 1780.0 2241.0 2710.0 3791.0 7033.0 -341 e1b64e 1132.0 1785.0 2222.0 2752.0 3743.0 6998.0 -342 79e602 1141.0 1780.0 2210.0 2725.0 3735.0 6979.0 -347 225305 1141.0 1866.0 2252.0 2741.0 3717.0 6991.0 -348 9e2311 1141.0 1780.0 2241.0 2697.0 3745.0 7054.0 -350 eb5c80 1132.0 1807.0 2220.0 2712.0 3803.0 7067.0 -352 c07490 1132.0 1775.0 2203.0 2727.0 3759.0 7029.0 -355 e3caab 1132.0 1775.0 2230.0 2731.0 3745.0 6936.0 -357 1df119 1141.0 1780.0 2286.0 2688.0 3752.0 7029.0 -358 ac71c1 1141.0 1779.0 2299.0 2761.0 3729.0 6995.0 -359 14576f 1140.0 1779.0 2246.0 2729.0 3737.0 7009.0 -361 164be7 1131.0 1774.0 2257.0 2799.0 3699.0 7042.0 -362 44ddd7 1131.0 1779.0 2248.0 2726.0 3723.0 6953.0 -364 a01af1 1131.0 1789.0 2266.0 2770.0 3778.0 7083.0 -367 1e070e 1131.0 1774.0 2214.0 2794.0 3756.0 7040.0 -369 aecd33 1140.0 1774.0 2242.0 2773.0 3717.0 6997.0 -371 1eb99f 1141.0 1758.0 2299.0 2712.0 3738.0 7085.0 -374 15d066 1131.0 1761.0 2245.0 2699.0 3703.0 6991.0 -378 274655 1140.0 1774.0 2214.0 2752.0 3756.0 7001.0 -380 667ecb 1131.0 1774.0 2212.0 2723.0 3783.0 7002.0 -383 2e9ae7 1140.0 1804.0 2270.0 2751.0 3742.0 6999.0 -384 c03a13 1140.0 1774.0 2243.0 2708.0 3787.0 6960.0 -387 61cc8b 1140.0 1806.0 2231.0 2687.0 3791.0 7017.0 -389 b1e573 1131.0 1774.0 2246.0 2728.0 3736.0 7057.0 -416 305ec3 1140.0 1835.0 2292.0 2703.0 3750.0 6999.0 -425 6b9457 1140.0 1774.0 2216.0 2708.0 3778.0 6990.0 -426 d5cf19 1140.0 1807.0 2246.0 2724.0 3698.0 7037.0 -427 cd9392 1131.0 1774.0 2245.0 2756.0 3736.0 6993.0 -428 0735bf 1140.0 1778.0 2296.0 2730.0 3732.0 7007.0 -429 5db0f8 1140.0 1774.0 2314.0 2711.0 3744.0 7029.0 -430 737e74 1140.0 1807.0 2285.0 2724.0 3783.0 6976.0 -435 27cc8e 1141.0 1804.0 2217.0 2757.0 3728.0 7061.0 -436 53a226 1131.0 1774.0 2245.0 2750.0 3749.0 6961.0 -438 19fdd6 1140.0 1748.0 2245.0 2713.0 3750.0 7000.0 -440 9a6ee7 1141.0 1774.0 2267.0 2758.0 3776.0 7011.0 -442 1e516d 1131.0 1773.0 2240.0 2711.0 3791.0 7063.0 -447 7c9085 1131.0 1774.0 2245.0 2709.0 3744.0 7057.0 -448 baebec 1140.0 1748.0 2246.0 2723.0 3795.0 7059.0 -449 3c55af 1131.0 1807.0 2230.0 2725.0 3756.0 7017.0 -452 e4f557 1131.0 1790.0 2229.0 2730.0 3818.0 6997.0 -453 263bc5 1131.0 1774.0 2285.0 2676.0 3764.0 6944.0 -454 04dd42 1131.0 1779.0 2286.0 2752.0 3764.0 6989.0 -455 c94756 1140.0 1832.0 2243.0 2688.0 3718.0 6953.0 -457 2bd831 1140.0 1774.0 2259.0 2727.0 3744.0 7005.0 -458 dfc565 1140.0 1776.0 2211.0 2755.0 3712.0 7037.0 -462 6a2264 1140.0 1775.0 2211.0 2712.0 3673.0 6985.0 -463 663691 1131.0 1778.0 2288.0 2714.0 3769.0 6947.0 -465 aacccc 1131.0 1806.0 2280.0 2705.0 3734.0 6990.0 -466 00bd37 1131.0 1778.0 2241.0 2717.0 3743.0 6952.0 -468 7e52d8 1140.0 1744.0 2215.0 2756.0 3683.0 7007.0 -476 113f45 1140.0 1779.0 2286.0 2756.0 3763.0 7025.0 -481 e42899 1140.0 1773.0 2209.0 2730.0 3804.0 7019.0 -484 3bcd6e 1131.0 1748.0 2229.0 2712.0 3772.0 7083.0 -485 a72b41 1131.0 ? 2238.0 2756.0 3757.0 7026.0 -486 185b7b 1140.0 1778.0 2290.0 2701.0 3742.0 7078.0 -488 b75a78 1140.0 1771.0 2290.0 2728.0 3729.0 7034.0 -490 5cf5c9 1140.0 1748.0 2250.0 2707.0 3736.0 7046.0 -491 edf7f2 1141.0 1770.0 2242.0 2686.0 3736.0 7031.0 -492 f67586 1140.0 1832.0 2195.0 2730.0 3764.0 6987.0 -495 ad1d17 1131.0 1774.0 2259.0 2723.0 3744.0 7026.0 -501 c08aeb 1131.0 1778.0 2227.0 2707.0 3728.0 7052.0 -507 cd366a 1140.0 1774.0 2294.0 2711.0 3691.0 6957.0 -509 992aa9 1140.0 1746.0 2226.0 2730.0 3771.0 6985.0 -512 069eaf 1140.0 1774.0 2202.0 2771.0 3736.0 7012.0 -514 48569e 1138.0 1762.0 2273.0 2687.0 3745.0 6938.0 -516 b3253c 1131.0 1778.0 2208.0 2728.0 3742.0 7050.0 -517 1ba8f6 1131.0 1738.0 2224.0 2771.0 3745.0 7029.0 -519 e709bc 1131.0 1804.0 2232.0 2728.0 3774.0 6966.0 -520 627b89 1131.0 1787.0 2268.0 2698.0 3689.0 7007.0 -525 5b0409 1131.0 1754.0 2209.0 2698.0 3788.0 7053.0 -526 508015 1131.0 1779.0 2247.0 2724.0 3757.0 6987.0 -528 8ce3b6 1140.0 1804.0 2251.0 2704.0 3737.0 7038.0 -530 d6c37d 1130.0 1773.0 2281.0 2750.0 3734.0 6988.0 -531 b331c5 1140.0 1773.0 2225.0 2755.0 3728.0 6979.0 -534 dfc25f 1140.0 1773.0 2239.0 2698.0 3757.0 6979.0 -539 3b5800 1140.0 1774.0 2244.0 2717.0 3736.0 7028.0 -542 d1376d 1140.0 1778.0 2246.0 2802.0 3720.0 6996.0 -544 edd451 1131.0 1832.0 2215.0 2791.0 3782.0 6953.0 -545 1668dc 1140.0 1774.0 2277.0 2724.0 3734.0 6998.0 -559 2adf4d 1131.0 1757.0 2280.0 2673.0 3736.0 7030.0 -560 aa9217 1140.0 1773.0 2244.0 2725.0 3768.0 7083.0 -563 f008f6 1140.0 1778.0 2229.0 2677.0 3788.0 7023.0 -566 72113d 1140.0 1779.0 2233.0 2724.0 3751.0 6981.0 -570 ebf5b8 1131.0 1774.0 2240.0 2753.0 3744.0 7034.0 -576 75b52d 1140.0 1779.0 2243.0 2729.0 3755.0 7042.0 -578 bf5cdd 1140.0 1805.0 2271.0 2725.0 3695.0 6984.0 -581 65cca6 1131.0 1806.0 2231.0 2731.0 3784.0 6978.0 -582 18d5c6 1131.0 1806.0 2209.0 2707.0 3730.0 7082.0 -584 b8a113 1131.0 1806.0 2252.0 2806.0 3764.0 6998.0 -587 f3ef42 1140.0 1779.0 2214.0 2750.0 3704.0 6975.0 -589 ed124d 1131.0 1779.0 2272.0 2723.0 3751.0 7021.0 -591 fbf0cb 1140.0 1713.0 2188.0 2721.0 3683.0 6900.0 -592 a7c7cb 1131.0 1711.0 2165.0 2727.0 3602.0 6897.0 -593 e112af 1140.0 1715.0 2211.0 2713.0 3709.0 6873.0 -594 a35736 1131.0 1739.0 2195.0 2728.0 3658.0 6868.0 -596 1501a5 1139.0 1850.0 2198.0 2736.0 3723.0 6831.0 -597 72e1b4 1140.0 1735.0 2183.0 2755.0 3709.0 6894.0 -599 bd8365 1140.0 1746.0 2199.0 2730.0 3742.0 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