0 mol 43 unq 0 iso 0 dist 8.47617 17.2393 9.74445 15.4702 9.69698 8.58709 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.47617 17.2393 9.74445 14.166 5.90113 7.53564 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.13476 9.45804 5.59773 4.22514 5.65405 6.10175 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 8.46609 4.46881 5.83937 8.44257 6.96065 4.96897 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 9.35212 6.2537 7.38759 11.196 4.82943 7.26246 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 9.35212 6.2537 7.38759 12.8678 10.602 8.6728 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.42431 6.48732 8.42147 11.5653 10.9559 8.41868 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 8.054 5.27855 8.33083 14.342 11.9943 9.44209 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 7.94863 4.59384 7.83619 12.0385 10.9365 8.26291 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 7.94863 4.59384 7.83619 7.71664 5.63567 7.86001 numMergedOcc 0
10 mol 152 unq 0 iso 0 dist 9.0847 17.3026 9.10619 16.6493 9.50073 8.84852 numMergedOcc 0
11 mol 174 unq 0 iso 0 dist 6.90813 4.86466 8.76218 11.2247 11.932 8.67807 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 8.48081 11.6202 4.58599 15.02 8.28789 8.84278 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 6.93717 8.26463 8.48112 14.1566 16.2851 7.96759 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 6.93717 8.26463 8.48112 14.5522 10.3576 8.94384 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 9.61379 13.0098 6.56437 14.5184 5.25583 4.99301 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 9.61379 12.6599 6.23882 14.5184 5.25583 6.36813 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 9.61379 4.72179 9.34636 11.9775 11.8217 7.7163 numMergedOcc 0
18 mol 224 unq 3 iso 0 dist 9.61379 4.72179 9.34636 11.6333 11.9904 9.06201 numMergedOcc 0
19 mol 235 unq 0 iso 0 dist 8.79626 6.25514 7.2346 12.9663 8.38435 7.52696 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 8.39522 11.1968 9.75174 12.547 6.53984 6.32593 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 8.95261 13.3046 5.36776 12.4676 5.99362 5.65496 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 7.80336 11.62 5.36776 12.7422 5.99362 5.65496 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.29682 4.98212 6.77279 13.6688 12.4673 9.16791 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 6.20344 4.98212 9.58006 13.6688 16.6792 9.16791 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 8.69345 5.42001 5.90381 10.1101 5.55516 5.96276 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 5.89409 13.0023 9.59213 8.54733 4.36105 8.19772 numMergedOcc 0
27 mol 265 unq 1 iso 0 dist 7.45719 12.5955 9.59213 10.4913 4.36105 8.19772 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.64889 6.7593 6.90434 11.8359 16.2915 9.42812 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 6.70123 6.00086 9.98528 9.4945 7.0797 7.98871 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 7.63115 7.675 8.13489 11.6621 5.31331 8.66917 numMergedOcc 0
