0 mol 15 unq 0 iso 0 dist 8.0637 4.89563 5.69927 4.98085 5.19544 5.89412 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 7.87072 6.16274 4.74688 5.00898 9.84805 6.42748 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.50539 6.34277 5.8503 6.14367 8.78181 8.87757 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.83402 8.46842 5.59268 10.4123 11.6272 6.16347 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.83402 8.46842 5.59268 12.1605 7.05148 7.92503 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 8.58806 8.50987 14.3338 4.95472 13.3973 6.85556 numMergedOcc 0
6 mol 52 unq 0 iso 0 dist 8.87569 8.52979 10.8037 14.261 15.0634 6.31696 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 4.3761 9.58693 8.91618 10.8137 12.3507 5.78706 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.3761 9.48388 12.3835 7.65932 8.55509 5.65185 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.84583 9.58693 12.9994 10.8137 12.2703 5.78706 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 5.84583 9.48388 4.96747 7.65932 5.94696 5.65185 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.87066 6.44766 5.59449 12.0238 13.6954 8.70296 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 9.87066 6.44766 5.59449 6.81696 10.9811 9.25558 numMergedOcc 0
13 mol 135 unq 0 iso 0 dist 6.29701 9.13451 8.13139 4.14325 5.43728 5.62052 numMergedOcc 0
14 mol 135 unq 1 iso 0 dist 6.29701 9.13451 8.13139 5.67656 9.71735 7.90563 numMergedOcc 0
15 mol 135 unq 2 iso 0 dist 6.29701 9.171 5.88534 4.14325 5.43728 7.85645 numMergedOcc 0
16 mol 135 unq 3 iso 0 dist 6.29701 9.171 5.88534 5.67656 9.71735 8.97655 numMergedOcc 0
17 mol 146 unq 0 iso 0 dist 9.5348 8.74283 8.76758 4.50898 7.13378 8.84535 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 9.2621 7.47249 7.71028 5.34021 9.53158 6.35982 numMergedOcc 0
19 mol 170 unq 1 iso 0 dist 9.2621 7.47249 7.71028 5.01799 12.7875 7.51126 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 8.30819 8.68992 10.5731 9.13275 8.81813 7.36698 numMergedOcc 0
21 mol 180 unq 0 iso 0 dist 9.13402 7.24785 10.2567 8.09502 14.7935 5.85827 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 6.17749 8.81925 4.82768 6.11074 5.89818 7.67576 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 6.17749 8.81925 4.82768 6.22277 9.32543 9.82371 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 8.15743 6.94983 9.60401 4.03628 7.83422 9.05071 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 5.67249 8.58958 10.3064 18.0206 19.2974 9.81425 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 9.72222 9.70004 17.3839 15.0011 22.2967 9.81425 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 6.84909 6.87804 8.04474 13.9059 13.7647 7.07965 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 6.38051 6.07571 9.00118 4.59906 10.0972 7.07965 numMergedOcc 0
