0 mol 0 unq 0 iso 0 dist 9.19007 9.67081 16.5238 7.02374 7.92928 16.6667 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.88043 7.78327 10.6558 12.2708 9.55056 18.6994 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.88043 7.78327 10.6558 6.06176 7.45262 13.2302 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 8.80762 7.78327 13.5227 12.2708 7.57354 18.6994 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 8.80762 7.78327 13.5227 6.06176 6.96586 13.2302 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 7.71107 9.06601 12.2445 7.59143 9.41723 12.2574 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 7.71107 5.98809 3.75797 7.59143 9.41723 7.75479 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 6.43433 6.87434 4.25001 6.72991 7.82011 9.81737 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.34525 9.93438 13.7162 5.31367 8.06525 12.6545 numMergedOcc 0
9 mol 120 unq 0 iso 0 dist 8.93905 6.42623 9.23272 8.94259 8.43028 13.8196 numMergedOcc 0
10 mol 120 unq 1 iso 0 dist 8.93905 8.95899 14.3708 8.94259 8.43028 15.4189 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 9.29384 8.80895 9.6795 7.00551 9.39683 13.4742 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.41611 8.99891 7.87644 5.44503 6.40901 8.08798 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 7.63338 8.99891 13.5899 6.01455 8.1582 14.9694 numMergedOcc 0
14 mol 143 unq 2 iso 0 dist 7.63338 8.99891 13.5899 5.44503 9.40626 8.08798 numMergedOcc 0
15 mol 143 unq 3 iso 0 dist 7.25673 8.99891 12.6218 6.01455 7.88655 14.9694 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 5.08802 5.1101 10.4624 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 5.49226 8.39897 7.88487 10.1972 7.01133 14.5864 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 7.35824 9.19156 14.7729 11.1651 7.01126 19.9234 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 9.17364 9.19156 18.0583 11.1651 6.58434 19.9234 numMergedOcc 0
20 mol 178 unq 0 iso 0 dist 4.92088 4.72821 8.56547 5.25267 5.98771 9.8525 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.72641 6.93931 3.99552 10.5203 9.59034 12.4834 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 15.9311 9.77862 12.7281 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 6.60567 6.59544 11.5264 13.6975 9.79691 19.9724 numMergedOcc 0
24 mol 198 unq 0 iso 0 dist 8.10985 6.77156 13.3432 12.2117 8.15936 18.8988 numMergedOcc 0
25 mol 198 unq 1 iso 0 dist 8.10985 6.77156 13.3432 10.8191 8.16598 17.1548 numMergedOcc 0
26 mol 198 unq 2 iso 0 dist 8.10985 7.97894 12.4245 12.2117 8.15936 18.47 numMergedOcc 0
27 mol 198 unq 3 iso 0 dist 8.10985 7.97894 12.4245 10.8191 8.16598 15.5539 numMergedOcc 0
28 mol 198 unq 4 iso 0 dist 8.10985 8.08471 5.45278 12.2117 8.15936 13.4578 numMergedOcc 0
29 mol 198 unq 5 iso 0 dist 8.10985 8.08471 5.45278 10.8191 8.16598 12.2324 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 5.60393 7.13783 12.0319 6.23291 5.42696 12.4189 numMergedOcc 0
31 mol 214 unq 0 iso 0 dist 8.46327 9.06459 13.3401 10.7373 7.2498 14.5432 numMergedOcc 0
32 mol 218 unq 0 iso 0 dist 8.06216 7.84952 9.46108 7.47048 9.67381 8.5244 numMergedOcc 0
33 mol 218 unq 1 iso 0 dist 5.76954 7.84952 11.2216 9.68444 6.86795 15.9417 numMergedOcc 0
34 mol 218 unq 2 iso 0 dist 5.76954 7.84952 11.2216 7.47048 6.61099 8.5244 numMergedOcc 0
35 mol 240 unq 0 iso 0 dist 9.47583 5.77749 10.2659 10.7371 8.33853 14.9624 numMergedOcc 0
36 mol 240 unq 1 iso 0 dist 9.47583 5.77749 10.2659 13.9225 5.66537 15.5469 numMergedOcc 0
37 mol 248 unq 0 iso 0 dist 6.17052 7.79063 4.91893 6.48757 8.53148 10.7209 numMergedOcc 0
38 mol 248 unq 1 iso 0 dist 9.77666 9.64778 4.91893 5.51827 8.53148 10.7209 numMergedOcc 0
39 mol 261 unq 0 iso 0 dist 8.60026 8.24356 11.1232 5.22253 9.24121 12.8776 numMergedOcc 0
