0 mol 4 unq 0 iso 0 dist 8.24634 9.16617 10.6506 7.66731 5.58487 11.7097 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.24634 8.87255 11.7391 7.66731 5.58487 14.2902 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.55811 7.36018 5.43306 11.4245 6.59455 8.70899 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.55811 8.48677 6.17866 11.4245 6.59455 5.71201 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 8.64915 8.17347 5.43306 14.7278 6.59455 8.70899 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 8.64915 7.83133 11.3401 14.7278 6.59455 15.5386 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 8.48677 6.55811 6.17866 11.4245 5.71201 6.59455 numMergedOcc 0
7 mol 9 unq 5 iso 0 dist 8.48677 7.36018 4.41171 11.4245 5.71201 8.70899 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 7.33768 9.01567 7.88693 6.00575 9.69752 12.7806 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 7.33768 7.29868 10.2653 6.00575 9.69752 9.36461 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 6.73939 8.70827 15.0804 10.2913 6.2004 16.4901 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 8.4051 8.23446 14.1082 4.33963 4.90592 9.32328 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 8.4051 8.23446 14.1082 17.4067 9.36461 21.719 numMergedOcc 0
13 mol 24 unq 5 iso 0 dist 8.4051 8.75662 9.62033 4.33963 4.90592 8.16324 numMergedOcc 0
14 mol 24 unq 6 iso 0 dist 8.4051 8.75662 9.62033 17.4067 9.36461 14.4545 numMergedOcc 0
15 mol 24 unq 7 iso 0 dist 7.29868 7.33768 10.2653 12.0003 4.90592 14.7684 numMergedOcc 0
16 mol 24 unq 8 iso 0 dist 7.29868 7.33768 10.2653 6.00575 9.36461 9.69752 numMergedOcc 0
17 mol 24 unq 9 iso 0 dist 7.29868 9.01567 6.16544 12.0003 4.90592 8.78859 numMergedOcc 0
18 mol 24 unq 10 iso 0 dist 7.29868 9.01567 6.16544 6.00575 9.36461 12.7806 numMergedOcc 0
19 mol 24 unq 11 iso 0 dist 8.60554 8.44664 14.1496 11.2106 4.90592 16.1638 numMergedOcc 0
20 mol 24 unq 12 iso 0 dist 8.60554 8.44664 14.1496 5.97304 9.36461 11.9865 numMergedOcc 0
21 mol 24 unq 13 iso 0 dist 8.60554 9.44691 9.62033 11.2106 4.90592 8.16324 numMergedOcc 0
22 mol 24 unq 14 iso 0 dist 8.60554 9.44691 9.62033 5.97304 9.36461 14.4545 numMergedOcc 0
23 mol 24 unq 15 iso 0 dist 8.75662 8.4051 9.62033 4.33963 8.16324 4.90592 numMergedOcc 0
24 mol 24 unq 16 iso 0 dist 8.75662 8.23446 11.342 4.33963 8.16324 9.32328 numMergedOcc 0
25 mol 24 unq 17 iso 0 dist 9.44691 8.60554 9.62033 11.2106 8.16324 4.90592 numMergedOcc 0
26 mol 24 unq 18 iso 0 dist 9.44691 8.44664 10.4263 11.2106 8.16324 16.1638 numMergedOcc 0
27 mol 92 unq 0 iso 0 dist 5.9465 8.18107 9.38827 5.69731 9.05259 12.8424 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 6.97962 9.8859 9.38827 4.14907 9.05259 12.8424 numMergedOcc 0
29 mol 108 unq 0 iso 0 dist 9.01852 9.75958 8.93829 9.53349 6.12967 12.0052 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 6.52773 9.23858 12.3703 3.78311 8.8562 7.91683 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 9.23858 6.52773 12.3703 3.78311 7.91683 8.8562 numMergedOcc 0
32 mol 126 unq 0 iso 0 dist 6.29233 5.42406 4.32209 9.71711 8.56219 11.9246 numMergedOcc 0
33 mol 129 unq 0 iso 0 dist 6.28565 7.58957 7.91034 8.11992 9.98397 13.8185 numMergedOcc 0
34 mol 129 unq 1 iso 0 dist 6.28565 7.58957 7.91034 6.67948 9.94578 13.9747 numMergedOcc 0
35 mol 130 unq 0 iso 0 dist 7.90048 9.99802 12.2217 4.28797 9.13191 6.95405 numMergedOcc 0
36 mol 130 unq 1 iso 0 dist 9.99802 7.90048 12.2217 4.28797 6.95405 9.13191 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 8.70296 9.25558 14.5627 7.73656 6.48674 15.8404 numMergedOcc 0
38 mol 135 unq 0 iso 0 dist 5.62052 7.90563 6.35752 5.66293 9.40325 7.62606 numMergedOcc 0
39 mol 135 unq 1 iso 0 dist 5.62052 7.90563 6.35752 7.79226 8.25527 13.1892 numMergedOcc 0
40 mol 135 unq 2 iso 0 dist 5.62052 7.90563 6.35752 13.2293 8.83856 14.2419 numMergedOcc 0
41 mol 135 unq 3 iso 0 dist 7.90563 5.62052 6.35752 5.66293 7.62606 9.40325 numMergedOcc 0
42 mol 135 unq 4 iso 0 dist 7.85645 8.97655 6.35752 10.1275 9.40325 7.62606 numMergedOcc 0
43 mol 135 unq 5 iso 0 dist 7.85645 8.97655 6.35752 6.99298 8.25527 13.1892 numMergedOcc 0
44 mol 135 unq 6 iso 0 dist 7.85645 8.97655 6.35752 12.8689 8.83856 14.2419 numMergedOcc 0
45 mol 135 unq 7 iso 0 dist 8.97655 7.85645 6.35752 10.1275 7.62606 9.40325 numMergedOcc 0
46 mol 171 unq 0 iso 0 dist 5.93786 8.1344 3.98338 4.44751 7.32555 10.3097 numMergedOcc 0
47 mol 171 unq 1 iso 0 dist 8.24693 6.71356 3.98338 9.61561 7.32555 10.3097 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.72611 7.99195 12.1167 5.93488 7.11785 10.8541 numMergedOcc 0
49 mol 237 unq 0 iso 0 dist 7.41478 9.20822 8.65228 5.65087 6.07878 5.06628 numMergedOcc 0
50 mol 237 unq 1 iso 0 dist 9.20822 7.41478 8.65228 5.65087 5.06628 6.07878 numMergedOcc 0
51 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 8.09454 7.79704 11.7476 numMergedOcc 0
52 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 14.1363 9.39276 14.7779 numMergedOcc 0
53 mol 274 unq 2 iso 0 dist 6.39866 9.45514 10.7637 10.4342 8.2997 10.7154 numMergedOcc 0
