0 mol 44 unq 0 iso 0 dist 7.89712 5.55889 6.96052 6.54204 8.28079 4.66466 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 6.96052 5.55889 7.89712 4.66466 8.28079 6.54204 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 9.04371 9.6367 5.23177 10.2676 5.51155 8.92868 numMergedOcc 0
3 mol 91 unq 0 iso 1 dist 5.23177 9.6367 9.04371 8.92868 5.51155 10.2676 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 6.50917 9.6367 6.77052 10.2676 8.29601 8.92868 numMergedOcc 0
5 mol 91 unq 1 iso 1 dist 6.77052 9.6367 6.50917 8.92868 8.29601 10.2676 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 7.40015 15.1562 8.94847 10.6451 9.25941 9.81613 numMergedOcc 0
7 mol 96 unq 0 iso 1 dist 8.94847 15.1562 7.40015 9.81613 9.25941 10.6451 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 7.3098 5.35519 9.90038 11.0301 8.96628 15.767 numMergedOcc 0
9 mol 100 unq 0 iso 1 dist 9.90038 5.35519 7.3098 15.767 8.96628 11.0301 numMergedOcc 0
10 mol 125 unq 0 iso 0 dist 9.505 6.10929 5.33187 17.3752 9.5205 11.3588 numMergedOcc 0
11 mol 125 unq 0 iso 1 dist 5.33187 6.10929 9.505 11.3588 9.5205 17.3752 numMergedOcc 0
12 mol 125 unq 1 iso 0 dist 9.505 6.10929 5.33187 14.0615 7.1608 8.11254 numMergedOcc 0
13 mol 125 unq 1 iso 1 dist 5.33187 6.10929 9.505 8.11254 7.1608 14.0615 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.8557 7.59101 6.13127 8.33682 9.83024 12.9836 numMergedOcc 0
15 mol 204 unq 0 iso 1 dist 6.13127 7.59101 6.8557 12.9836 9.83024 8.33682 numMergedOcc 0
16 mol 283 unq 0 iso 0 dist 9.24924 4.80485 9.72248 7.04495 8.57375 9.44903 numMergedOcc 0
17 mol 283 unq 0 iso 1 dist 9.72248 4.80485 9.24924 9.44903 8.57375 7.04495 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.80478 16.3028 9.22409 12.2037 4.75392 6.95862 numMergedOcc 0
19 mol 287 unq 0 iso 1 dist 9.22409 16.3028 7.80478 6.95862 4.75392 12.2037 numMergedOcc 0
20 mol 287 unq 1 iso 0 dist 7.80478 16.3028 9.22409 15.1358 8.61667 6.1041 numMergedOcc 0
21 mol 287 unq 1 iso 1 dist 9.22409 16.3028 7.80478 6.1041 8.61667 15.1358 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.80478 16.3028 9.22409 12.2037 4.75392 6.95862 numMergedOcc 0
23 mol 288 unq 0 iso 1 dist 9.22409 16.3028 7.80478 6.95862 4.75392 12.2037 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 7.80478 16.3028 9.22409 15.1358 8.61667 6.1041 numMergedOcc 0
25 mol 288 unq 1 iso 1 dist 9.22409 16.3028 7.80478 6.1041 8.61667 15.1358 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 7.80478 16.3028 9.22409 12.2037 4.75392 6.95862 numMergedOcc 0
27 mol 289 unq 0 iso 1 dist 9.22409 16.3028 7.80478 6.95862 4.75392 12.2037 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 7.80478 16.3028 9.22409 15.1358 8.61667 6.1041 numMergedOcc 0
29 mol 289 unq 1 iso 1 dist 9.22409 16.3028 7.80478 6.1041 8.61667 15.1358 numMergedOcc 0
