0 mol 28 unq 0 iso 0 dist 8.74311 6.76158 4.50098 7.423 8.14695 3.70336 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 8.74311 7.423 8.14695 6.76158 4.50098 3.70336 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.74311 6.76158 4.50098 5.89257 9.01546 5.1533 numMergedOcc 0
3 mol 28 unq 1 iso 1 dist 8.74311 5.89257 9.01546 6.76158 4.50098 5.1533 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 8.74311 7.423 8.14695 5.89257 9.01546 3.0988 numMergedOcc 0
5 mol 28 unq 1 iso 1 dist 8.74311 5.89257 9.01546 7.423 8.14695 3.0988 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.65864 8.26805 14.3512 9.68577 18.0887 6.98219 numMergedOcc 0
7 mol 76 unq 0 iso 1 dist 8.65864 9.68577 18.0887 8.26805 14.3512 6.98219 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 8.60797 5.43098 9.10091 9.40555 10.7807 10.6173 numMergedOcc 0
9 mol 88 unq 0 iso 1 dist 8.60797 9.40555 10.7807 5.43098 9.10091 10.6173 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.09552 7.82717 8.15238 8.19926 3.98361 6.13455 numMergedOcc 0
11 mol 186 unq 0 iso 1 dist 9.09552 8.19926 3.98361 7.82717 8.15238 6.13455 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.09552 7.82717 8.15238 9.02402 13.4808 14.8103 numMergedOcc 0
13 mol 186 unq 1 iso 1 dist 9.09552 9.02402 13.4808 7.82717 8.15238 14.8103 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.09552 8.19926 3.98361 9.02402 13.4808 15.0775 numMergedOcc 0
15 mol 186 unq 1 iso 1 dist 9.09552 9.02402 13.4808 8.19926 3.98361 15.0775 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 8.96332 9.54857 7.86323 8.73456 6.76635 3.22387 numMergedOcc 0
17 mol 220 unq 0 iso 1 dist 8.96332 8.73456 6.76635 9.54857 7.86323 3.22387 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 8.66699 9.02494 15.0717 8.83641 10.6012 14.4721 numMergedOcc 0
19 mol 225 unq 0 iso 1 dist 8.66699 8.83641 10.6012 9.02494 15.0717 14.4721 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 6.75968 9.02494 11.5114 8.83641 3.90246 14.4721 numMergedOcc 0
21 mol 225 unq 1 iso 1 dist 6.75968 8.83641 3.90246 9.02494 11.5114 14.4721 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 7.62034 8.32786 4.01942 5.09952 11.0805 11.7483 numMergedOcc 0
23 mol 236 unq 0 iso 1 dist 7.62034 5.09952 11.0805 8.32786 4.01942 11.7483 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.70984 8.86773 11.5209 8.95095 15.8746 8.91869 numMergedOcc 0
25 mol 258 unq 0 iso 1 dist 8.70984 8.95095 15.8746 8.86773 11.5209 8.91869 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 9.10682 9.05194 11.3526 9.02526 8.93485 2.95376 numMergedOcc 0
27 mol 264 unq 0 iso 1 dist 9.10682 9.02526 8.93485 9.05194 11.3526 2.95376 numMergedOcc 0
28 mol 264 unq 1 iso 0 dist 7.60952 9.05194 6.26054 9.02526 3.81537 2.95376 numMergedOcc 0
29 mol 264 unq 1 iso 1 dist 7.60952 9.02526 3.81537 9.05194 6.26054 2.95376 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 6.33388 7.33086 3.92892 7.88971 5.10042 7.15524 numMergedOcc 0
31 mol 294 unq 0 iso 1 dist 6.33388 7.88971 5.10042 7.33086 3.92892 7.15524 numMergedOcc 0
32 mol 294 unq 1 iso 0 dist 6.33388 7.33086 3.92892 6.82335 6.48913 4.76434 numMergedOcc 0
33 mol 294 unq 1 iso 1 dist 6.33388 6.82335 6.48913 7.33086 3.92892 4.76434 numMergedOcc 0
34 mol 294 unq 1 iso 0 dist 6.33388 7.88971 5.10042 6.82335 6.48913 10.769 numMergedOcc 0
35 mol 294 unq 1 iso 1 dist 6.33388 6.82335 6.48913 7.88971 5.10042 10.769 numMergedOcc 0
