0 mol 26 unq 0 iso 0 dist 9.61029 7.54282 7.11305 15.2626 9.15677 9.71123 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 8.05598 6.02824 4.24251 5.71189 7.34019 6.1084 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 7.34019 6.1084 4.24251 5.71189 8.05598 6.02824 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.97292 8.58849 11.3575 10.8184 7.67586 15.584 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.97292 5.73075 13.6023 10.8184 7.67586 16.0676 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.02591 8.06358 6.9648 10.2326 7.80757 11.1008 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 5.02591 8.06358 6.9648 5.08698 9.2835 11.4811 numMergedOcc 0
7 mol 86 unq 0 iso 0 dist 5.49793 7.19148 5.9022 7.5835 7.26032 11.9644 numMergedOcc 0
8 mol 89 unq 0 iso 0 dist 9.51842 6.00509 10.4274 12.7737 8.89514 16.7713 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 8.87148 8.18122 4.1335 5.33782 9.26057 6.70684 numMergedOcc 0
10 mol 123 unq 1 iso 0 dist 9.26057 6.70684 4.1335 5.33782 8.87148 8.18122 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 6.31492 8.45614 4.88992 10.8595 7.8621 12.5016 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 5.80867 8.37455 6.0599 9.85954 9.4363 8.17562 numMergedOcc 0
13 mol 198 unq 1 iso 0 dist 9.4363 8.80827 15.1173 9.85954 5.80867 12.7814 numMergedOcc 0
14 mol 198 unq 2 iso 0 dist 9.4363 8.17562 6.0599 9.85954 5.80867 8.37455 numMergedOcc 0
15 mol 214 unq 0 iso 0 dist 8.3035 8.9694 8.48942 7.54507 9.01896 13.3862 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 9.01896 8.70011 8.52282 7.54507 8.3035 12.9113 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 8.28941 5.01648 4.64118 14.9224 9.55587 13.5948 numMergedOcc 0
18 mol 217 unq 1 iso 0 dist 8.28941 5.01648 4.64118 14.1541 9.38111 12.8408 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.29203 9.97859 16.7443 7.89598 7.2527 15.8628 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 7.80166 9.97859 10.4706 7.89598 7.13194 15.8628 numMergedOcc 0
