0 mol 1 unq 0 iso 0 dist 6.06669 13.5153 8.69605 9.06627 9.78935 14.4278 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.54285 6.67987 9.5937 14.8138 9.16861 10.7882 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.54285 9.81441 7.34681 14.8138 9.16861 9.91874 numMergedOcc 0
3 mol 37 unq 0 iso 0 dist 8.40835 4.81503 7.65802 9.15298 8.50293 7.14868 numMergedOcc 0
4 mol 37 unq 1 iso 0 dist 8.40835 4.81503 7.65802 10.0341 8.82649 5.58769 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.91298 6.74022 5.41357 6.32902 8.64746 4.97497 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.91298 5.42653 9.30042 6.32902 8.64746 6.60091 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 5.75102 12.2856 8.92529 8.73829 6.59302 4.96361 numMergedOcc 0
8 mol 71 unq 1 iso 0 dist 5.75102 12.2856 8.92529 7.75924 9.93626 11.7369 numMergedOcc 0
9 mol 71 unq 2 iso 0 dist 8.80254 14.1584 8.92529 12.6576 6.59302 4.96361 numMergedOcc 0
10 mol 71 unq 3 iso 0 dist 8.80254 14.1584 8.92529 5.20688 9.93626 11.7369 numMergedOcc 0
11 mol 104 unq 0 iso 0 dist 6.14066 5.30572 5.71279 6.13628 9.66258 9.81762 numMergedOcc 0
12 mol 104 unq 1 iso 0 dist 6.14066 5.886 6.18499 6.13628 9.66258 7.1626 numMergedOcc 0
13 mol 116 unq 0 iso 0 dist 9.98108 8.77277 6.90966 3.82151 9.78909 6.71263 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 7.48833 14.3839 9.52061 5.09238 7.65371 13.0969 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 4.46578 10.008 8.76088 6.27514 6.61636 12.398 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 6.45502 13.5755 9.38856 4.64868 8.37022 11.9024 numMergedOcc 0
17 mol 158 unq 1 iso 0 dist 8.66056 12.9207 9.38856 6.43732 8.37022 11.9024 numMergedOcc 0
18 mol 160 unq 0 iso 0 dist 5.13415 4.95728 8.1876 6.78759 9.50008 8.48235 numMergedOcc 0
19 mol 167 unq 0 iso 0 dist 6.6514 8.3419 7.20545 6.77802 9.72291 10.4219 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 5.26804 6.31943 5.58167 8.40049 6.56642 6.47437 numMergedOcc 0
21 mol 187 unq 1 iso 0 dist 5.26804 6.31943 5.58167 4.8403 7.9625 10.7843 numMergedOcc 0
22 mol 187 unq 2 iso 0 dist 5.26804 8.33762 8.0501 8.40049 6.56642 7.95559 numMergedOcc 0
23 mol 187 unq 3 iso 0 dist 5.26804 8.33762 8.0501 4.8403 7.9625 9.27977 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.5696 9.55695 6.20044 6.22751 9.01377 13.2711 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 7.5696 7.67211 8.41232 6.22751 9.01377 10.5475 numMergedOcc 0
26 mol 204 unq 2 iso 0 dist 9.3369 13.6696 9.90757 13.1818 7.741 4.83686 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 9.66533 13.587 4.36421 5.23668 6.96139 10.6276 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 5.2376 7.16053 6.80214 6.72331 5.91133 7.67444 numMergedOcc 0
29 mol 220 unq 1 iso 0 dist 7.66083 6.48083 5.25149 5.04557 5.00266 4.51612 numMergedOcc 0
30 mol 220 unq 2 iso 0 dist 7.66083 6.54824 8.6368 5.04557 5.00266 8.8105 numMergedOcc 0
31 mol 226 unq 0 iso 0 dist 7.6174 5.92917 8.74399 10.5991 7.45381 12.3027 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 8.73607 8.87977 7.872 4.58893 7.61398 9.51445 numMergedOcc 0
33 mol 285 unq 1 iso 0 dist 8.73607 9.91326 6.32984 4.58893 7.61398 11.5961 numMergedOcc 0
