0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 5.36722 6.72502 11.2038 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 13.0772 6.90155 12.3361 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.6396 5.77745 6.47509 13.3963 6.6492 12.8378 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 14.6525 8.44506 6.38243 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.88695 9.63803 8.25132 6.29311 5.69955 6.73167 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 9.96265 7.61923 6.16718 8.17152 7.52117 10.3213 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 9.70459 5.11941 6.16718 10.0357 7.52117 10.3213 numMergedOcc 0
7 mol 44 unq 2 iso 0 dist 7.78905 5.84744 6.16718 7.37043 7.52117 10.3213 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 9.91757 6.77886 15.4669 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.67532 9.762 5.9144 13.4716 5.16364 9.28577 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 5.9747 8.3505 3.9764 8.89866 7.26086 8.75597 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 5.9747 7.34638 7.03983 8.89866 7.26086 13.4099 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 4.50572 6.0995 7.03983 7.87523 7.26086 13.4099 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 4.50572 9.25525 13.1657 7.87523 7.26086 15.9985 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 4.99966 4.49975 4.65519 5.71094 9.44561 6.46343 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 10.9842 5.34214 9.78192 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 10.9842 5.34214 10.0098 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 4.92962 5.72642 8.4965 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 7.95871 9.79864 9.62029 7.39793 5.74857 13.8041 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 6.40546 5.90003 10.5082 6.00304 6.98934 11.6545 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 6.40546 5.90003 10.5082 6.64646 7.99623 12.3083 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 8.44385 9.10803 12.4829 9.79485 7.99857 17.0423 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 5.63005 9.10803 8.84069 9.79485 8.56342 17.0423 numMergedOcc 0
23 mol 119 unq 4 iso 0 dist 5.63005 9.10803 8.84069 6.81112 6.37542 11.1088 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 9.60369 8.78303 4.46337 4.02705 7.36779 5.11043 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 4.02705 8.20836 5.11043 numMergedOcc 0
26 mol 212 unq 0 iso 0 dist 5.87223 5.03184 3.9436 6.8255 6.29767 5.50658 numMergedOcc 0
27 mol 212 unq 1 iso 0 dist 5.87223 5.03184 3.9436 8.90296 8.74585 9.22129 numMergedOcc 0
28 mol 237 unq 0 iso 0 dist 9.5822 9.58403 7.94861 6.08522 7.42587 10.2023 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 7.36905 9.13546 5.71153 5.7394 7.52281 6.02757 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 7.36905 8.7365 6.87635 5.7394 7.52281 8.67231 numMergedOcc 0
31 mol 264 unq 2 iso 0 dist 6.83408 9.13546 6.56539 5.7394 6.42588 6.02757 numMergedOcc 0
32 mol 264 unq 3 iso 0 dist 6.83408 8.7365 4.76241 5.7394 6.42588 8.67231 numMergedOcc 0
33 mol 266 unq 0 iso 0 dist 8.59986 6.22195 4.74189 5.70666 7.71657 8.20485 numMergedOcc 0
