0 mol 5 unq 0 iso 0 dist 5.14917 7.6976 5.63647 5.43606 7.15734 10.6196 numMergedOcc 0
1 mol 6 unq 0 iso 0 dist 6.47003 6.98764 6.60126 7.94377 8.92565 12.5759 numMergedOcc 0
2 mol 35 unq 0 iso 0 dist 6.16132 5.55901 6.17207 10.0288 9.81737 13.0791 numMergedOcc 0
3 mol 91 unq 0 iso 0 dist 9.00234 4.83495 5.9762 5.24518 8.57385 4.32161 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 9.00234 5.11803 4.8101 5.24518 8.57385 7.34465 numMergedOcc 0
5 mol 171 unq 0 iso 0 dist 6.20851 9.2747 13.1082 14.0871 9.47945 22.351 numMergedOcc 0
6 mol 171 unq 1 iso 0 dist 6.20851 8.45343 13.0534 14.0871 9.47945 20.8408 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 7.7013 9.52193 7.64428 14.2738 8.6609 16.0692 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 7.7013 9.52193 7.64428 8.62822 6.21546 13.3417 numMergedOcc 0
9 mol 175 unq 2 iso 0 dist 7.7013 9.52193 7.64428 7.44933 6.03184 9.25721 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.73634 9.34835 5.65729 8.77448 6.43585 10.9366 numMergedOcc 0
11 mol 219 unq 0 iso 0 dist 8.55971 8.15287 14.322 5.67196 9.09462 13.7162 numMergedOcc 0
12 mol 219 unq 1 iso 0 dist 7.26376 8.15287 5.39853 6.90398 4.67452 6.65093 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.55805 6.94771 3.96711 12.6024 7.35148 9.57951 numMergedOcc 0
14 mol 254 unq 0 iso 0 dist 5.17988 8.69525 8.47194 5.24816 9.36171 7.80179 numMergedOcc 0
15 mol 254 unq 1 iso 0 dist 5.17988 8.69525 8.47194 4.6577 7.87218 13.1446 numMergedOcc 0
16 mol 254 unq 2 iso 0 dist 8.76115 8.69525 3.84382 5.24816 7.53352 7.80179 numMergedOcc 0
17 mol 254 unq 3 iso 0 dist 8.76115 8.69525 3.84382 9.11887 7.80793 10.4324 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.36806 7.01175 8.85331 7.43132 8.12204 12.4802 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 7.51446 9.58747 5.32558 8.18304 8.12204 12.9901 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 7.51446 7.50074 8.85331 8.18304 8.12204 12.4802 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.28023 9.35835 6.50006 5.66978 6.12202 11.537 numMergedOcc 0
22 mol 276 unq 0 iso 0 dist 9.5388 6.11207 4.22314 16.342 9.68846 13.3306 numMergedOcc 0
