0 mol 0 unq 0 iso 0 dist 7.96742 6.8892 9.53992 5.56616 6.0681 11.1413 7.16694 14.4281 9.16606 12.2927 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.19397 6.8892 11.5675 5.56616 8.52471 11.1413 7.16694 10.9707 9.16606 12.2927 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 7.8986 8.52643 7.05519 11.5903 9.14856 7.7933 7.59945 10.9115 5.45684 10.1246 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 7.8986 8.52643 7.05519 11.5903 9.14856 7.7933 13.3239 14.6782 7.76644 11.269 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 7.8986 8.52643 7.05519 8.73619 4.97843 11.058 7.59945 10.9115 5.45684 13.7102 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 7.8986 8.52643 7.05519 8.73619 4.97843 11.058 13.3239 14.6782 7.76644 17.9687 numMergedOcc 0
6 mol 64 unq 4 iso 0 dist 7.8986 9.75299 8.49962 11.5903 9.14856 12.4521 7.59945 10.9115 7.66372 10.1246 numMergedOcc 0
7 mol 64 unq 5 iso 0 dist 7.8986 9.75299 8.49962 11.5903 9.14856 12.4521 13.3239 14.6782 9.99743 11.269 numMergedOcc 0
8 mol 64 unq 6 iso 0 dist 7.8986 9.75299 8.49962 8.73619 4.97843 13.1776 7.59945 10.9115 7.66372 13.7102 numMergedOcc 0
9 mol 64 unq 7 iso 0 dist 7.8986 9.75299 8.49962 8.73619 4.97843 13.1776 13.3239 14.6782 9.99743 17.9687 numMergedOcc 0
10 mol 64 unq 8 iso 0 dist 7.24183 5.41357 7.05519 6.10515 9.14856 7.7933 5.65551 10.9115 5.45684 10.1246 numMergedOcc 0
11 mol 64 unq 9 iso 0 dist 7.24183 5.41357 7.05519 6.10515 9.14856 7.7933 9.81422 14.6782 7.76644 11.269 numMergedOcc 0
12 mol 64 unq 10 iso 0 dist 7.24183 5.41357 7.05519 8.70732 4.97843 11.058 5.65551 10.9115 5.45684 13.7102 numMergedOcc 0
13 mol 64 unq 11 iso 0 dist 7.24183 5.41357 7.05519 8.70732 4.97843 11.058 9.81422 14.6782 7.76644 17.9687 numMergedOcc 0
14 mol 64 unq 12 iso 0 dist 7.24183 9.30042 8.49962 6.10515 9.14856 12.4521 5.65551 10.9115 7.66372 10.1246 numMergedOcc 0
15 mol 64 unq 13 iso 0 dist 7.24183 9.30042 8.49962 6.10515 9.14856 12.4521 9.81422 14.6782 9.99743 11.269 numMergedOcc 0
16 mol 64 unq 14 iso 0 dist 7.24183 9.30042 8.49962 8.70732 4.97843 13.1776 5.65551 10.9115 7.66372 13.7102 numMergedOcc 0
17 mol 64 unq 15 iso 0 dist 7.24183 9.30042 8.49962 8.70732 4.97843 13.1776 9.81422 14.6782 9.99743 17.9687 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 5.92936 7.48556 4.97519 6.67626 9.30737 12.4181 15.0455 12.6772 8.08507 19.4754 numMergedOcc 0
19 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 4.46847 9.05357 8.95044 6.3566 8.6308 7.94379 4.74096 numMergedOcc 0
20 mol 99 unq 0 iso 0 dist 6.81741 8.68674 4.74328 7.35957 8.15733 11.2459 8.61334 8.23566 4.82346 11.6733 numMergedOcc 0
21 mol 99 unq 1 iso 0 dist 6.81741 8.68674 4.74328 7.35957 8.15733 11.2459 12.2155 11.1962 8.07233 12.7528 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 5.33543 9.88178 10.6104 5.43722 8.33489 10.5922 15.6097 18.1155 8.15734 15.2809 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 5.33543 9.88178 10.6104 5.43722 8.33489 10.5922 5.57607 9.21999 6.00896 6.63186 numMergedOcc 0
24 mol 223 unq 0 iso 0 dist 5.75896 6.97426 10.6184 12.3056 9.67035 17.5221 4.68566 10.1945 7.96628 14.2427 numMergedOcc 0
25 mol 223 unq 1 iso 0 dist 5.75896 8.87456 13.8469 12.3056 9.67035 20.4915 4.68566 10.1945 7.76053 14.2427 numMergedOcc 0
26 mol 223 unq 2 iso 0 dist 5.75896 8.87456 13.8469 12.3056 9.67035 20.4915 11.1044 16.5446 9.65728 20.8376 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 7.58998 6.23677 6.88745 4.10214 4.64336 7.49889 8.8161 14.6984 8.96263 12.6215 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 5.73199 9.9594 13.1232 5.79358 10.9114 8.73425 6.56522 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 5.73199 9.9594 11.732 5.79358 10.9114 9.65711 6.56522 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 8.61456 5.00258 9.80233 10.1569 9.79549 11.0142 6.38947 12.7565 6.51248 8.60464 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 8.41041 8.22117 9.80233 4.54514 9.79549 11.0142 5.98603 12.7565 6.51248 8.60464 numMergedOcc 0
