0 mol 0 unq 0 iso 0 dist 9.19007 6.91778 14.0232 9.67081 16.5238 5.8463 7.02374 7.92928 13.4647 16.6667 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.88043 5.99972 7.25346 7.78327 10.6558 3.54153 12.2708 9.55056 15.5696 18.6994 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.88043 5.99972 7.25346 7.78327 10.6558 3.54153 6.06176 7.45262 10.6471 13.2302 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.80762 5.99972 10.0658 7.78327 13.5227 3.54153 12.2708 7.57354 15.5696 18.6994 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 8.80762 5.99972 10.0658 7.78327 13.5227 3.54153 6.06176 6.96586 10.6471 13.2302 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.34525 6.84011 8.51024 9.93438 13.7162 5.99273 5.31367 8.06525 8.809 12.6545 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 8.80895 9.6795 5.92118 7.00551 9.39683 10.9721 13.4742 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 8.80895 9.6795 10.2176 7.00551 9.39683 14.9787 13.4742 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 8.99891 7.87644 14.3396 5.44503 6.40901 13.204 8.08798 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 8.99891 7.87644 12.476 5.44503 6.40901 13.8861 8.08798 numMergedOcc 0
10 mol 143 unq 2 iso 0 dist 7.63338 7.78652 11.5146 8.99891 13.5899 14.3396 6.01455 8.1582 6.46089 14.9694 numMergedOcc 0
11 mol 143 unq 3 iso 0 dist 7.63338 7.78652 11.5146 8.99891 13.5899 14.3396 5.44503 9.40626 13.204 8.08798 numMergedOcc 0
12 mol 143 unq 4 iso 0 dist 7.63338 8.91301 13.434 8.99891 13.5899 12.476 6.01455 8.1582 10.1154 14.9694 numMergedOcc 0
13 mol 143 unq 5 iso 0 dist 7.63338 8.91301 13.434 8.99891 13.5899 12.476 5.44503 9.40626 13.8861 8.08798 numMergedOcc 0
14 mol 143 unq 6 iso 0 dist 7.25673 7.78652 6.60479 8.99891 12.6218 14.3396 6.01455 7.88655 6.46089 14.9694 numMergedOcc 0
15 mol 143 unq 7 iso 0 dist 7.25673 8.91301 7.54337 8.99891 12.6218 12.476 6.01455 7.88655 10.1154 14.9694 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.35824 9.39352 10.3786 9.19156 14.7729 11.8094 11.1651 7.01126 16.3661 19.9234 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 9.17364 9.39352 11.9672 9.19156 18.0583 11.8094 11.1651 6.58434 16.3661 19.9234 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 6.93931 3.99552 5.70845 10.5203 9.59034 9.84492 12.4834 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 9.52922 7.82899 3.7326 15.9311 9.77862 11.6497 12.7281 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 6.59544 11.5264 9.10355 13.6975 9.79691 14.0228 19.9724 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 6.60567 6.95086 6.74112 6.59544 11.5264 9.70528 13.6975 9.79691 15.1755 19.9724 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 8.10985 6.34616 9.86517 6.77156 13.3432 4.73496 12.2117 8.15936 16.7877 18.8988 numMergedOcc 0
23 mol 198 unq 1 iso 0 dist 8.10985 6.34616 9.86517 6.77156 13.3432 4.73496 10.8191 8.16598 15.2254 17.1548 numMergedOcc 0
24 mol 198 unq 2 iso 0 dist 8.10985 6.34616 9.86517 7.97894 12.4245 4.97547 12.2117 8.15936 16.7877 18.47 numMergedOcc 0
25 mol 198 unq 3 iso 0 dist 8.10985 6.34616 9.86517 7.97894 12.4245 4.97547 10.8191 8.16598 15.2254 15.5539 numMergedOcc 0
26 mol 198 unq 4 iso 0 dist 8.10985 6.34616 9.86517 8.08471 5.45278 5.92533 12.2117 8.15936 16.7877 13.4578 numMergedOcc 0
27 mol 198 unq 5 iso 0 dist 8.10985 6.34616 9.86517 8.08471 5.45278 5.92533 10.8191 8.16598 15.2254 12.2324 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 5.60393 5.44002 8.46033 7.13783 12.0319 4.76454 6.23291 5.42696 10.5073 12.4189 numMergedOcc 0
29 mol 240 unq 0 iso 0 dist 9.47583 6.68687 15.5587 5.77749 10.2659 7.06594 10.7371 8.33853 17.0428 14.9624 numMergedOcc 0
30 mol 240 unq 1 iso 0 dist 9.47583 6.68687 15.5587 5.77749 10.2659 7.06594 13.9225 5.66537 20.2034 15.5469 numMergedOcc 0
