0 mol 42 unq 0 iso 0 dist 6.14934 6.30917 9.53458 8.04675 5.59383 9.16649 numMergedOcc 0
1 mol 42 unq 1 iso 0 dist 8.04675 6.30917 9.16649 6.14934 5.59383 9.53458 numMergedOcc 0
2 mol 42 unq 2 iso 0 dist 8.64833 12.2853 9.53458 11.6445 5.59383 9.16649 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.16827 7.56926 8.60739 14.9909 8.13395 9.93832 numMergedOcc 0
4 mol 65 unq 0 iso 0 dist 9.38611 5.39637 8.37515 11.0466 10.2941 5.69971 numMergedOcc 0
5 mol 65 unq 1 iso 0 dist 9.38611 5.39637 8.37515 13.1482 8.06868 9.83239 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 7.95122 7.98177 9.31969 9.74268 5.22626 6.54023 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 9.74268 7.98177 6.54023 7.95122 5.22626 9.31969 numMergedOcc 0
8 mol 94 unq 0 iso 0 dist 9.24996 6.05887 8.16733 10.633 7.49897 9.97569 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.59784 12.9632 8.56342 13.3176 4.85907 7.99857 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.38977 6.53994 8.86329 9.69757 5.55373 8.71039 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 9.69757 6.53994 8.71039 6.38977 5.55373 8.86329 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 9.69757 13.4383 6.92648 15.2412 7.58238 9.15431 numMergedOcc 0
13 mol 131 unq 3 iso 0 dist 9.69757 13.4383 6.92648 12.5659 6.63273 9.29384 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 4.93035 5.74529 6.69515 9.75558 6.21253 7.86572 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 9.75558 5.74529 7.86572 4.93035 6.21253 6.69515 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 7.38138 3.97123 7.97543 11.2295 7.26616 9.02318 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 7.38138 3.97123 7.97543 10.5375 8.72919 9.74542 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 7.34423 3.98367 7.85526 10.4957 8.77324 9.6606 numMergedOcc 0
19 mol 150 unq 1 iso 0 dist 7.34423 3.98367 7.85526 11.2386 7.24908 8.94552 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.25528 6.09526 6.51749 11.3822 10.1912 7.20392 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 5.80867 11.1573 8.10985 16.8042 11.6493 9.18635 numMergedOcc 0
22 mol 198 unq 1 iso 0 dist 9.4363 4.75457 8.10985 12.9579 11.6493 9.18635 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 7.2527 9.87539 6.66971 10.3304 5.40359 6.4398 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 7.2527 9.87539 6.66971 7.13194 10.0191 7.32982 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 7.13194 9.87539 7.32982 7.2527 10.0191 6.66971 numMergedOcc 0
26 mol 238 unq 3 iso 0 dist 7.13194 9.87539 7.32982 10.3304 10.1648 6.4398 numMergedOcc 0
27 mol 238 unq 4 iso 0 dist 9.29203 10.4401 6.66971 7.62771 5.40359 6.4398 numMergedOcc 0
28 mol 238 unq 5 iso 0 dist 9.29203 10.4401 6.66971 7.80166 10.0191 7.32982 numMergedOcc 0
29 mol 238 unq 6 iso 0 dist 7.62771 10.4401 6.4398 9.29203 5.40359 6.66971 numMergedOcc 0
30 mol 238 unq 7 iso 0 dist 7.62771 10.4401 6.4398 7.80166 10.1648 7.32982 numMergedOcc 0
31 mol 238 unq 8 iso 0 dist 7.80166 10.4401 7.32982 9.29203 10.0191 6.66971 numMergedOcc 0
32 mol 238 unq 9 iso 0 dist 7.80166 10.4401 7.32982 7.62771 10.1648 6.4398 numMergedOcc 0
33 mol 238 unq 10 iso 0 dist 9.2521 6.12311 5.64181 8.51359 6.85126 7.61393 numMergedOcc 0
34 mol 238 unq 11 iso 0 dist 9.41975 7.3781 7.61393 12.0016 6.85126 5.64181 numMergedOcc 0
35 mol 238 unq 12 iso 0 dist 8.51359 6.12311 7.61393 9.2521 6.85126 5.64181 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 9.78185 13.7796 7.50201 15.1099 6.0987 6.53679 numMergedOcc 0
37 mol 258 unq 0 iso 0 dist 7.22378 4.56307 6.70815 10.6039 7.26417 7.99477 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 9.47382 15.3317 8.55558 18.3451 9.98105 8.59697 numMergedOcc 0
