0 mol 15 unq 0 iso 0 dist 5.94245 5.85257 6.50647 10.8674 5.20798 9.51568 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.01238 4.25444 5.497 12.4597 4.76998 9.06516 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.01238 4.25444 5.497 6.84751 5.39199 6.79475 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 7.98453 4.39526 9.0008 6.89527 5.26394 8.96498 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 7.98453 4.39526 9.0008 11.8705 14.1568 7.5228 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.2958 6.55474 7.03226 12.9361 10.1364 9.4866 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.19273 5.26498 7.52142 9.26505 6.44969 7.65255 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 9.68996 12.7763 8.97945 7.33743 4.10674 8.55349 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 7.38829 11.0896 8.84087 10.7247 5.23961 5.06715 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 7.38829 6.41542 6.32615 10.7247 5.23961 6.14686 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 7.38829 5.6419 7.73791 10.7247 5.23961 8.22942 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 7.38829 7.76417 6.75145 10.7247 5.23961 8.50502 numMergedOcc 0
12 mol 134 unq 4 iso 0 dist 7.38829 11.8695 8.1856 10.7247 5.23961 6.68164 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 9.83216 5.5932 7.80054 10.7263 5.43662 9.1326 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 9.83216 5.5932 7.80054 11.9625 5.95858 7.30954 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 6.07708 9.00192 6.64779 11.0639 11.3761 8.62366 numMergedOcc 0
16 mol 173 unq 1 iso 0 dist 6.07708 9.00192 6.64779 12.2224 9.90783 9.44973 numMergedOcc 0
17 mol 173 unq 2 iso 0 dist 6.07708 9.00192 6.64779 5.82174 4.60149 6.52508 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.83185 12.188 7.05653 7.83476 4.98436 9.09234 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.83185 12.188 7.05653 13.3652 11.9796 6.76746 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 8.83185 12.188 7.05653 12.7598 12.3589 8.92098 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 9.0234 4.56814 7.05653 11.1968 4.98436 9.09234 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 9.0234 4.56814 7.05653 9.45579 11.9796 6.76746 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 9.0234 4.56814 7.05653 11.3781 12.3589 8.92098 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 7.77211 4.32025 8.97471 5.00402 3.87082 7.25339 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 9.33455 12.2893 7.43663 8.6243 11.1693 8.27411 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 9.33455 12.2893 7.43663 17.9127 10.7351 6.96257 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 6.62283 6.04481 8.09718 13.6578 15.3328 8.69525 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 8.60978 6.04481 6.73446 13.6578 10.3346 8.69525 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 9.88071 7.00729 6.8972 10.9891 4.10152 7.52924 numMergedOcc 0
