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  1. .gitattributes +1 -0
  2. fullC/p2/omol/electrolytes/md_based/group_003.zarr/cmo_b/c/1 +3 -0
  3. occC/p1/dna/group_000.zarr/atom_f8/zarr.json +68 -0
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  14. occC/p1/dna/group_000.zarr/pair_loewdin_bo_value/zarr.json +65 -0
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  19. occC/p1/dna/group_000.zarr/pair_mayer_bo_value/zarr.json +65 -0
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  38. occC/p1/electrolytes_scaled_sep/group_000.zarr/pair_loewdin_bo_offsets/c/0 +0 -0
  39. occC/p1/electrolytes_scaled_sep/group_000.zarr/pair_loewdin_bo_offsets/zarr.json +65 -0
  40. occC/p1/electrolytes_scaled_sep/group_000.zarr/pair_loewdin_bo_value/zarr.json +65 -0
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  44. occC/p1/electrolytes_scaled_sep/group_000.zarr/pair_mayer_bo_value/zarr.json +65 -0
  45. occC/p1/electrolytes_scaled_sep/group_000.zarr/pair_mulliken_ovlp_index/zarr.json +68 -0
  46. occC/p1/electrolytes_scaled_sep/group_000.zarr/pair_mulliken_ovlp_offsets/c/0 +0 -0
  47. occC/p1/electrolytes_scaled_sep/group_000.zarr/pair_mulliken_ovlp_offsets/zarr.json +65 -0
  48. occC/p1/electrolytes_scaled_sep/group_000.zarr/pair_mulliken_ovlp_value/zarr.json +65 -0
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1117
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1121
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1123
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1133
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1134
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1135
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1136
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1137
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1138
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1139
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1140
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1141
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1142
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1143
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1144
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1145
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1146
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1147
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1148
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1149
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1150
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1151
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1152
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1153
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1154
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1155
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1156
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1157
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1158
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1159
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1160
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1161
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1162
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1163
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1164
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1165
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1166
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1167
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1172
+ "dna/5b40_I16_E-_frame1_-4_1",
1173
+ "dna/4f3o_F9_S--_frame1_-2_1",
1174
+ "dna/6a5u_T-53_--_frame1_-2_1",
1175
+ "dna/6d92_G-8_S-_frame0_0_1",
1176
+ "dna/6lwm_C4_S--_frame9_-2_1",
1177
+ "dna/8fyb_J38_S--_frame1_-2_1",
1178
+ "dna/8ham_J106_S--_frame9_0_1",
1179
+ "dna/4j9q_T8_S-_frame0_0_1",
1180
+ "dna/7edx_Y-16_E_frame1_-3_1",
1181
+ "dna/1p3m_I142_S--_frame0_-2_1",
1182
+ "dna/8reb_N-26_S-_frame9_0_1",
1183
+ "dna/3pw7_F383_S--_frame1_-2_1",
1184
+ "dna/8wan_Y21_E_frame0_0_1",
1185
+ "dna/5dfj_V17_--_frame9_-2_1",
1186
+ "dna/6c1t_C10_--_frame1_-2_1",
1187
+ "dna/8a40_T11_E_frame0_-3_1",
1188
+ "dna/6w8b_M431_S--_frame0_-3_1",
1189
+ "dna/6ryr_I33_S--_frame0_-3_1",
1190
+ "dna/8fn7_E25_S-_frame9_0_1",
1191
+ "dna/5ms0_J24_E_frame9_-3_1",
1192
+ "dna/7yrd_I59_S--_frame1_-2_1",
1193
+ "dna/2irf_D1101_S-_frame0_-1_1",
1194
+ "dna/6jus_C873_E_frame1_-2_1",
1195
+ "dna/7x5k_B9_E_frame0_-3_1",
1196
+ "dna/6vvz_O62_S--_frame9_-1_1",
1197
+ "dna/7mkd_Q37_S-_frame9_0_1",
1198
+ "dna/4wqs_Z8_S-_frame1_-1_1",
1199
+ "dna/8ol1_J128_S--_frame1_-2_1",
1200
+ "dna/4zux_T-12_S--_frame0_-2_1",
1201
+ "dna/7xct_I51_S-_frame0_1_1",
1202
+ "dna/5l0m_B108_S-_frame1_-1_1",
1203
+ "dna/8sct_F6_S--_frame0_-2_1",
1204
+ "dna/5vpf_H15_E_frame0_-3_1",
1205
+ "dna/6as7_C118_S--_frame0_-2_1",
1206
+ "dna/8eos_T5_S--_frame1_-2_1",
1207
+ "dna/6rar_B1_--_frame1_-1_1",
1208
+ "dna/3iag_A5_S--_frame0_-2_1",
1209
+ "dna/6ycq_C17_S-_frame1_0_1",
1210
+ "dna/6kqg_H1_S--_frame1_1_1",
1211
+ "dna/6o8e_F17_S-_frame1_-2_1",
1212
+ "dna/3mxb_E622_S-_frame1_0_1",
1213
+ "dna/5d4e_S4_E-_frame0_-3_1",
1214
+ "dna/7ad8_J25_S-_frame1_-1_1",
1215
+ "dna/5btc_F14_E_frame1_-3_1",
1216
+ "dna/5h3r_D14_S-_frame9_-1_1",
1217
+ "dna/7z9k_E5_--_frame0_-1_1",
1218
+ "dna/7qnz_I26_S--_frame0_-2_1",
1219
+ "dna/7rcf_B15_S--_frame1_-2_1",
1220
+ "dna/7k19_D15_S--_frame0_-2_1",
1221
+ "dna/6rja_H11_E_frame1_-3_1",
1222
+ "dna/4fth_C11_E_frame1_-3_1",
1223
+ "dna/4fjm_T11_S-_frame0_-1_1",
1224
+ "dna/5ipm_154_--_frame1_-3_1",
1225
+ "dna/6j4x_N47_S--_frame0_-2_1",
1226
+ "dna/1rpe_A37_S--_frame1_-2_1",
1227
+ "dna/7tjj_H60_S-_frame0_-1_1",
1228
+ "dna/3thw_D37_S-_frame1_-1_1",
1229
+ "dna/7pu7_P111_S-_frame0_0_1",
1230
+ "dna/8qqs_F4_E_frame1_-3_1",
1231
+ "dna/7y3k_H12_S--_frame0_-2_1",
1232
+ "dna/6edb_D14_S--_frame1_-2_1",
1233
+ "dna/4gnx_L13_E-_frame1_-3_1",
1234
+ "dna/6a5l_1-56_S--_frame0_-2_1",
1235
+ "dna/6x6z_P5_S--_frame0_-1_1",
1236
+ "dna/7jps_F9_S--_frame1_-4_1",
1237
+ "dna/5hlh_P10_S--_frame1_-2_1",
1238
+ "dna/7vo9_B54_S-_frame9_3_1",
1239
+ "dna/6k1p_I37_--_frame1_-2_1",
1240
+ "dna/8q43_D2_eqeq_frame0_-2_1",
1241
+ "dna/4uuv_I5_S-_frame0_-1_1",
1242
+ "dna/7xzz_I12_S--_frame9_-2_1",
1243
+ "dna/7pii_I55_S--_frame0_-2_1",
1244
+ "dna/2rdj_F9_--_frame1_-2_1",
1245
+ "dna/8bh3_j23_E-_frame0_-3_1",
1246
+ "dna/3qeb_B9_E_frame1_-3_1",
1247
+ "dna/7k63_J93_S--_frame0_-1_1",
1248
+ "dna/6gtg_C0_S-_frame0_-1_1",
1249
+ "dna/7prv_C3_S--_frame9_-2_1",
1250
+ "dna/6rqt_T10_E-_frame9_-3_1",
1251
+ "dna/7nv0_P7_S--_frame9_-2_1",
1252
+ "dna/7vn7_F10_E_frame1_-3_1",
1253
+ "dna/4on0_H20_S-_frame1_-1_1",
1254
+ "dna/3jbx_J14_E-_frame9_-2_1",
1255
+ "dna/1p3p_I93_S--_frame0_-2_1",
1256
+ "dna/8jkn_B7_E_frame0_-3_1",
1257
+ "dna/8jla_I-27_S-_frame0_-1_1",
1258
+ "dna/6p09_C6_S--_frame1_-1_1",
1259
+ "dna/4rdm_F19_S--_frame1_-2_1",
1260
+ "dna/5nw9_C-8_E-_frame1_-2_1",
1261
+ "dna/7sgc_B42_E-_frame1_-4_1",
1262
+ "dna/1ecr_C341_--_frame9_-2_1",
1263
+ "dna/3rei_J-57_E_frame0_-3_1",
1264
+ "dna/5jh0_C7_S--_frame0_1_1",
1265
+ "dna/4mzr_L40_S--_frame9_-2_1",
1266
+ "dna/6fb1_G618_S--_frame1_-1_1",
1267
+ "dna/6gtd_D5_--_frame1_-1_1",
1268
+ "dna/1p8k_C506_--_frame1_-2_1",
1269
+ "dna/1jwl_E18_E_frame1_-3_1",
1270
+ "dna/6en0_C-7_S--_frame1_-2_1",
1271
+ "dna/5m0r_U12_--_frame0_-2_1",
1272
+ "dna/6rjg_G8_--_frame1_-2_1",
1273
+ "dna/7b0y_T9_S--_frame0_-2_1",
1274
+ "dna/2asl_H1802_E_frame1_-2_1",
1275
+ "dna/6xwg_B6_S-_frame9_-2_1",
1276
+ "dna/6grc_H18_S-_frame0_-1_1",
1277
+ "dna/6sef_J-56_--_frame9_-2_1",
1278
+ "dna/6avt_T714_S--_frame0_-1_1",
1279
+ "dna/8q3x_III39_S--_frame9_-1_1",
1280
+ "dna/1qp9_E9_--_frame1_-2_1",
1281
+ "dna/6x4y_Q19_--_frame9_-2_1",
1282
+ "dna/5ms0_J30_--_frame1_-2_1",
1283
+ "dna/7jk3_H22_--_frame0_-2_1",
1284
+ "dna/3g6x_T847_S-_frame1_-1_1",
1285
+ "dna/7kef_T12_E-_frame0_-4_1",
1286
+ "dna/8gn3_F11_--_frame1_-2_1",
1287
+ "dna/8j54_A624_S-_frame0_-2_1",
1288
+ "dna/7okx_N31_S--_frame1_-2_1",
1289
+ "dna/2yvh_E14_--_frame1_-2_1",
1290
+ "dna/3w96_J242_S--_frame0_-2_1",
1291
+ "dna/7t21_M8_S-_frame9_-2_1",
1292
+ "dna/6jup_C862_S--_frame1_-2_1",
1293
+ "dna/1bdv_E17_eqeq_frame1_-4_1",
1294
+ "dna/1hdd_A9_S-_frame0_-1_1",
1295
+ "dna/1zyq_P1015_--_frame0_-2_1",
1296
+ "dna/3qrf_A4010_S-_frame0_0_1",
1297
+ "dna/6u0m_F25_S--_frame0_0_1",
1298
+ "dna/1qp7_M708_S--_frame1_-1_1",
1299
+ "dna/8jld_I28_S-_frame0_1_1",
1300
+ "dna/1if1_C225_S-_frame0_1_1",
1301
+ "dna/1seu_B8_S-_frame1_0_1",
1302
+ "dna/3qes_P111_--_frame1_-2_1",
1303
+ "dna/7lyc_J-18_--_frame0_-2_1",
1304
+ "dna/6grd_R2_--_frame1_-2_1",
1305
+ "dna/5wcu_T98_S--_frame9_-3_1",
1306
+ "dna/6zha_D38_S--_frame9_-3_1",
1307
+ "dna/1zet_T14_S-_frame9_-2_1",
1308
+ "dna/7xse_N-6_S--_frame9_-2_1",
1309
+ "dna/3mgh_P4_--_frame0_-2_1",
1310
+ "dna/5z3v_I78_E-_frame0_-4_1",
1311
+ "dna/4rzr_F3_E_frame9_-3_1",
1312
+ "dna/3foe_G7_E_frame9_-3_1",
1313
+ "dna/5oy7_g112_S--_frame9_-3_1",
1314
+ "dna/5c3e_U9_E_frame1_-3_1",
1315
+ "dna/7xx5_J72_S-_frame0_0_1",
1316
+ "dna/5avb_I1_E_frame1_-3_1",
1317
+ "dna/6waa_K22_--_frame1_-3_1",
1318
+ "dna/6l74_H23_eqeq_frame1_-2_1",
1319
+ "dna/6ro4_J27_E_frame1_-3_1",
1320
+ "dna/8ezb_M5_S-_frame1_-1_1",
1321
+ "dna/4x0q_F10_S--_frame1_-2_1",
1322
+ "dna/7lph_C20_--_frame1_-2_1",
1323
+ "dna/7z9g_E14_S--_frame9_-3_1",
1324
+ "dna/3tae_H107_S--_frame0_-1_1",
1325
+ "dna/6v93_T15_E_frame1_-2_1",
1326
+ "dna/5v0l_D8_S--_frame1_-2_1",
1327
+ "dna/5oqp_C17_S--_frame0_-2_1",
1328
+ "dna/7khc_O7_S--_frame9_-2_1",
1329
+ "dna/8ebs_L33_--_frame0_-2_1",
1330
+ "dna/4roc_N15_S-_frame0_0_1",
1331
+ "dna/6dzt_I76_--_frame1_-2_1",
1332
+ "dna/4dtr_T8_eqeq_frame1_-4_1",
1333
+ "dna/5zki_D7_S-_frame0_-1_1",
1334
+ "dna/6o9e_E33_E_frame1_-3_1",
1335
+ "dna/8fcu_N8_S--_frame0_-2_1",
1336
+ "dna/6vgm_T15_E_frame1_-3_1"
1337
+ ],
1338
+ "hftyp": [
1339
+ "RHF",
1340
+ "RHF",
1341
+ "RHF",
1342
+ "RHF",
1343
+ "RHF",
1344
+ "RHF",
1345
+ "RHF",
1346
+ "RHF",
1347
+ "RHF",
1348
+ "RHF",
1349
+ "RHF",
1350
+ "RHF",
1351
+ "RHF",
1352
+ "RHF",
1353
+ "RHF",
1354
+ "RHF",
1355
+ "RHF",
1356
+ "RHF",
1357
+ "RHF",
1358
+ "RHF",
1359
+ "RHF",
1360
+ "RHF",
1361
+ "RHF",
1362
+ "RHF",
1363
+ "RHF",
1364
+ "RHF",
1365
+ "RHF",
1366
+ "RHF",
1367
+ "RHF",
1368
+ "RHF",
1369
+ "RHF",
1370
+ "RHF",
1371
+ "RHF",
1372
+ "RHF",
1373
+ "RHF",
1374
+ "RHF",
1375
+ "RHF",
1376
+ "RHF",
1377
+ "RHF",
1378
+ "RHF",
1379
+ "RHF",
1380
+ "RHF",
1381
+ "RHF",
1382
+ "RHF",
1383
+ "RHF",
1384
+ "RHF",
1385
+ "RHF",
1386
+ "RHF",
1387
+ "RHF",
1388
+ "RHF",
1389
+ "RHF",
1390
+ "RHF",
1391
+ "RHF",
1392
+ "RHF",
1393
+ "RHF",
1394
+ "RHF",
1395
+ "RHF",
1396
+ "RHF",
1397
+ "RHF",
1398
+ "RHF",
1399
+ "RHF",
1400
+ "RHF",
1401
+ "RHF",
1402
+ "RHF",
1403
+ "RHF",
1404
+ "RHF",
1405
+ "RHF",
1406
+ "RHF",
1407
+ "RHF",
1408
+ "RHF",
1409
+ "RHF",
1410
+ "RHF",
1411
+ "RHF",
1412
+ "RHF",
1413
+ "RHF",
1414
+ "RHF",
1415
+ "RHF",
1416
+ "RHF",
1417
+ "RHF",
1418
+ "RHF",
1419
+ "RHF",
1420
+ "RHF",
1421
+ "RHF",
1422
+ "RHF",
1423
+ "RHF",
1424
+ "RHF",
1425
+ "RHF",
1426
+ "RHF",
1427
+ "RHF",
1428
+ "RHF",
1429
+ "RHF",
1430
+ "RHF",
1431
+ "RHF",
1432
+ "RHF",
1433
+ "RHF",
1434
+ "RHF",
1435
+ "RHF",
1436
+ "RHF",
1437
+ "RHF",
1438
+ "RHF",
1439
+ "RHF",
1440
+ "RHF",
1441
+ "RHF",
1442
+ "RHF",
1443
+ "RHF",
1444
+ "RHF",
1445
+ "RHF",
1446
+ "RHF",
1447
+ "RHF",
1448
+ "RHF",
1449
+ "RHF",
1450
+ "RHF",
1451
+ "RHF",
1452
+ "RHF",
1453
+ "RHF",
1454
+ "RHF",
1455
+ "RHF",
1456
+ "RHF",
1457
+ "RHF",
1458
+ "RHF",
1459
+ "RHF",
1460
+ "RHF",
1461
+ "RHF",
1462
+ "RHF",
1463
+ "RHF",
1464
+ "RHF",
1465
+ "RHF",
1466
+ "RHF",
1467
+ "RHF",
1468
+ "RHF",
1469
+ "RHF",
1470
+ "RHF",
1471
+ "RHF",
1472
+ "RHF",
1473
+ "RHF",
1474
+ "RHF",
1475
+ "RHF",
1476
+ "RHF",
1477
+ "RHF",
1478
+ "RHF",
1479
+ "RHF",
1480
+ "RHF",
1481
+ "RHF",
1482
+ "RHF",
1483
+ "RHF",
1484
+ "RHF",
1485
+ "RHF",
1486
+ "RHF",
1487
+ "RHF",
1488
+ "RHF",
1489
+ "RHF",
1490
+ "RHF",
1491
+ "RHF",
1492
+ "RHF",
1493
+ "RHF",
1494
+ "RHF",
1495
+ "RHF",
1496
+ "RHF",
1497
+ "RHF",
1498
+ "RHF",
1499
+ "RHF",
1500
+ "RHF",
1501
+ "RHF",
1502
+ "RHF",
1503
+ "RHF",
1504
+ "RHF",
1505
+ "RHF",
1506
+ "RHF",
1507
+ "RHF",
1508
+ "RHF",
1509
+ "RHF",
1510
+ "RHF",
1511
+ "RHF",
1512
+ "RHF",
1513
+ "RHF",
1514
+ "RHF",
1515
+ "RHF",
1516
+ "RHF",
1517
+ "RHF",
1518
+ "RHF",
1519
+ "RHF",
1520
+ "RHF",
1521
+ "RHF",
1522
+ "RHF",
1523
+ "RHF",
1524
+ "RHF",
1525
+ "RHF",
1526
+ "RHF",
1527
+ "RHF",
1528
+ "RHF",
1529
+ "RHF",
1530
+ "RHF",
1531
+ "RHF",
1532
+ "RHF",
1533
+ "RHF",
1534
+ "RHF",
1535
+ "RHF",
1536
+ "RHF",
1537
+ "RHF",
1538
+ "RHF",
1539
+ "RHF",
1540
+ "RHF",
1541
+ "RHF",
1542
+ "RHF",
1543
+ "RHF",
1544
+ "RHF",
1545
+ "RHF",
1546
+ "RHF",
1547
+ "RHF",
1548
+ "RHF",
1549
+ "RHF",
1550
+ "RHF",
1551
+ "RHF",
1552
+ "RHF",
1553
+ "RHF",
1554
+ "RHF",
1555
+ "RHF",
1556
+ "RHF",
1557
+ "RHF",
1558
+ "RHF",
1559
+ "RHF",
1560
+ "RHF",
1561
+ "RHF",
1562
+ "RHF",
1563
+ "RHF",
1564
+ "RHF",
1565
+ "RHF",
1566
+ "RHF",
1567
+ "RHF",
1568
+ "RHF",
1569
+ "RHF",
1570
+ "RHF",
1571
+ "RHF",
1572
+ "RHF",
1573
+ "RHF",
1574
+ "RHF",
1575
+ "RHF",
1576
+ "RHF",
1577
+ "RHF",
1578
+ "RHF",
1579
+ "RHF",
1580
+ "RHF",
1581
+ "RHF",
1582
+ "RHF",
1583
+ "RHF",
1584
+ "RHF",
1585
+ "RHF",
1586
+ "RHF",
1587
+ "RHF",
1588
+ "RHF",
1589
+ "RHF",
1590
+ "RHF",
1591
+ "RHF",
1592
+ "RHF",
1593
+ "RHF",
1594
+ "RHF",
1595
+ "RHF",
1596
+ "RHF",
1597
+ "RHF",
1598
+ "RHF",
1599
+ "RHF",
1600
+ "RHF",
1601
+ "RHF",
1602
+ "RHF",
1603
+ "RHF",
1604
+ "RHF",
1605
+ "RHF",
1606
+ "RHF",
1607
+ "RHF",
1608
+ "RHF",
1609
+ "RHF",
1610
+ "RHF",
1611
+ "RHF",
1612
+ "RHF",
1613
+ "RHF",
1614
+ "RHF",
1615
+ "RHF",
1616
+ "RHF",
1617
+ "RHF",
1618
+ "RHF",
1619
+ "RHF",
1620
+ "RHF",
1621
+ "RHF",
1622
+ "RHF",
1623
+ "RHF",
1624
+ "RHF",
1625
+ "RHF",
1626
+ "RHF",
1627
+ "RHF",
1628
+ "RHF",
1629
+ "RHF",
1630
+ "RHF",
1631
+ "RHF",
1632
+ "RHF",
1633
+ "RHF",
1634
+ "RHF",
1635
+ "RHF",
1636
+ "RHF",
1637
+ "RHF",
1638
+ "RHF",
1639
+ "RHF",
1640
+ "RHF",
1641
+ "RHF",
1642
+ "RHF",
1643
+ "RHF",
1644
+ "RHF",
1645
+ "RHF",
1646
+ "RHF",
1647
+ "RHF",
1648
+ "RHF",
1649
+ "RHF",
1650
+ "RHF",
1651
+ "RHF",
1652
+ "RHF",
1653
+ "RHF",
1654
+ "RHF",
1655
+ "RHF",
1656
+ "RHF",
1657
+ "RHF",
1658
+ "RHF",
1659
+ "RHF",
1660
+ "RHF",
1661
+ "RHF",
1662
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