0 mol 0 unq 0 iso 0 dist 8.82108 7.55723 5.13216 8.82652 5.22416 5.56852 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.90148 7.55723 5.16658 8.82652 9.94405 5.56852 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 4.88114 6.66589 7.86036 7.88748 9.81212 4.90612 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 8.41173 6.22892 6.3027 9.96415 13.1033 6.88805 numMergedOcc 0
4 mol 17 unq 0 iso 0 dist 9.26685 6.53817 11.7814 8.6745 4.86775 8.25879 numMergedOcc 0
5 mol 17 unq 1 iso 0 dist 9.26685 9.81769 14.8418 8.6745 4.86775 10.9688 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 7.55357 8.86547 5.29179 7.17698 5.73081 6.37474 numMergedOcc 0
7 mol 38 unq 1 iso 0 dist 7.55357 8.86547 5.29179 4.74069 6.66655 6.10572 numMergedOcc 0
8 mol 38 unq 2 iso 0 dist 5.86972 8.86547 10.4994 7.17698 5.31226 6.37474 numMergedOcc 0
9 mol 38 unq 3 iso 0 dist 5.86972 8.86547 10.4994 4.74069 4.57886 6.10572 numMergedOcc 0
10 mol 48 unq 0 iso 0 dist 8.36915 5.36645 8.03277 6.68961 10.9119 7.14094 numMergedOcc 0
11 mol 48 unq 1 iso 0 dist 6.01454 5.36645 9.26483 6.68961 6.1565 7.14094 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 7.00677 6.09782 5.29727 8.67352 5.15743 4.02037 numMergedOcc 0
13 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 9.899 14.2457 13.4227 numMergedOcc 0
14 mol 64 unq 1 iso 0 dist 9.3473 7.02352 9.96083 9.899 14.2457 4.70856 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 7.67341 8.93552 11.909 9.03339 4.33522 9.38943 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 7.67341 8.35604 5.39296 9.03339 4.33522 5.64974 numMergedOcc 0
17 mol 130 unq 0 iso 0 dist 7.9663 9.05626 9.97628 9.67398 9.69908 4.97996 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 9.92335 9.41832 8.78908 8.4449 6.75366 6.29124 numMergedOcc 0
19 mol 140 unq 1 iso 0 dist 9.92335 5.44596 4.83408 8.4449 6.75366 5.65439 numMergedOcc 0
20 mol 140 unq 2 iso 0 dist 9.92335 9.69069 12.2686 8.4449 6.75366 5.62569 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 8.954 9.42819 8.35998 6.51243 5.09521 5.65603 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 9.47945 6.01711 5.53673 9.67711 12.6471 7.5383 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 5.97008 8.84671 8.75092 6.95244 5.48443 7.73027 numMergedOcc 0
24 mol 173 unq 1 iso 0 dist 5.97008 8.84671 8.75092 6.11224 10.2216 8.97627 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 6.47689 9.63295 5.16386 8.39573 5.71744 5.93724 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 9.45817 8.03597 11.9053 9.76574 16.3928 5.1409 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 9.08767 9.08672 5.17355 9.77333 11.7104 7.31335 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 9.86417 9.88212 9.38348 7.9987 5.71044 6.04002 numMergedOcc 0
29 mol 219 unq 0 iso 0 dist 4.67452 8.09769 10.0509 8.3704 5.05436 11.3569 numMergedOcc 0
30 mol 219 unq 1 iso 0 dist 4.67452 7.24832 5.48556 8.3704 5.05436 4.78402 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 7.35148 7.30244 10.48 8.63649 10.6592 14.9028 numMergedOcc 0
32 mol 220 unq 1 iso 0 dist 7.35148 7.29796 5.23846 8.63649 10.6592 14.1071 numMergedOcc 0
33 mol 223 unq 0 iso 0 dist 9.29204 9.94212 18.385 7.5808 11.3121 9.46742 numMergedOcc 0
34 mol 223 unq 1 iso 0 dist 9.29204 7.34316 8.16187 7.5808 11.3121 5.30405 numMergedOcc 0
35 mol 223 unq 2 iso 0 dist 9.14789 9.94212 19.0281 7.5808 13.5418 9.46742 numMergedOcc 0
36 mol 223 unq 3 iso 0 dist 9.14789 7.34316 11.2364 7.5808 13.5418 5.30405 numMergedOcc 0
37 mol 223 unq 4 iso 0 dist 7.80764 9.94212 4.67731 7.5808 7.74459 9.46742 numMergedOcc 0
38 mol 223 unq 5 iso 0 dist 7.80764 7.34316 11.4951 7.5808 7.74459 5.30405 numMergedOcc 0
39 mol 223 unq 6 iso 0 dist 5.75896 9.94212 7.19485 7.5808 4.53638 9.46742 numMergedOcc 0
40 mol 223 unq 7 iso 0 dist 5.75896 7.34316 5.18719 7.5808 4.53638 5.30405 numMergedOcc 0
41 mol 224 unq 0 iso 0 dist 6.6537 7.04127 6.46679 5.36326 3.56689 5.13732 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 9.08719 7.04127 7.85135 5.36326 11.4272 5.13732 numMergedOcc 0
43 mol 230 unq 0 iso 0 dist 6.23346 8.56954 5.53578 9.3974 12.4865 12.7772 numMergedOcc 0
44 mol 230 unq 1 iso 0 dist 6.23346 9.23938 7.7551 9.3974 12.4865 8.67903 numMergedOcc 0
45 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 9.67162 4.8226 4.66414 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 6.08181 9.67877 5.09738 9.6327 6.49094 6.95359 numMergedOcc 0
47 mol 258 unq 1 iso 0 dist 6.08181 8.81059 13.8694 9.6327 6.49094 13.987 numMergedOcc 0
48 mol 258 unq 2 iso 0 dist 6.08181 9.12006 14.0402 9.6327 6.49094 15.8856 numMergedOcc 0
49 mol 258 unq 3 iso 0 dist 7.70189 9.67877 10.4667 9.6327 8.08023 6.95359 numMergedOcc 0
50 mol 258 unq 4 iso 0 dist 7.70189 8.81059 9.22664 9.6327 8.08023 13.987 numMergedOcc 0
51 mol 258 unq 5 iso 0 dist 7.70189 9.12006 13.0489 9.6327 8.08023 15.8856 numMergedOcc 0
52 mol 266 unq 0 iso 0 dist 9.58577 7.72749 10.2159 4.93584 7.58368 4.74189 numMergedOcc 0
53 mol 279 unq 0 iso 0 dist 8.57035 5.17586 6.03718 7.03656 7.23238 8.4236 numMergedOcc 0
