0 mol 26 unq 0 iso 0 dist 7.34549 11.0672 9.7522 7.23551 6.73162 11.7823 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.09068 15.3987 9.7522 4.03252 6.73162 11.7823 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.72289 18.4863 9.7522 8.34836 6.73162 11.7823 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.47617 12.345 8.38387 10.7814 9.83618 6.35048 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.13476 10.5752 5.97635 6.2425 5.02241 8.98505 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.04163 4.86753 8.2377 11.4785 5.64598 12.6436 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.88953 3.80976 8.2377 12.0993 5.64598 12.6436 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 8.64872 10.8989 6.95595 4.79472 5.15851 8.91765 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.63534 10.4745 8.58841 4.35757 8.97793 10.5948 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.63534 10.4745 8.58841 6.55474 8.19682 13.8628 numMergedOcc 0
10 mol 76 unq 2 iso 0 dist 9.32453 4.35001 6.4551 12.9327 9.49449 13.2281 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 4.75701 5.13128 9.44078 8.43244 8.39016 9.76996 numMergedOcc 0
12 mol 90 unq 1 iso 0 dist 4.75701 4.14427 5.9179 8.43244 8.39016 4.97513 numMergedOcc 0
13 mol 90 unq 2 iso 0 dist 9.89618 9.88666 9.44078 12.4268 8.39016 9.76996 numMergedOcc 0
14 mol 90 unq 3 iso 0 dist 9.89618 10.1669 5.9179 12.4268 8.39016 4.97513 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 8.94909 6.45157 5.86531 11.1266 7.92688 5.80615 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.0847 11.6766 8.07256 12.6562 9.13561 6.51591 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.1663 11.0215 7.88794 11.5478 6.68292 4.23514 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 9.1663 11.0215 7.88794 7.28957 4.26212 6.58235 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 9.85348 12.2182 7.73315 7.64323 8.53199 12.9902 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 8.9413 16.6823 7.86368 6.40261 9.5707 16.9465 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 8.9413 16.6823 7.86368 4.48571 7.85175 15.442 numMergedOcc 0
22 mol 234 unq 2 iso 0 dist 4.91961 5.55026 7.86368 12.2893 9.5707 16.9465 numMergedOcc 0
23 mol 234 unq 3 iso 0 dist 4.91961 5.55026 7.86368 11.1927 7.85175 15.442 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 8.84872 7.44501 9.11256 13.4086 9.58736 14.9183 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 8.84872 10.7196 7.08539 13.4086 9.58736 4.28284 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.39522 5.58605 6.24928 10.4124 6.91569 6.66018 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 9.86979 9.99077 5.89502 10.094 7.19465 11.889 numMergedOcc 0
28 mol 253 unq 1 iso 0 dist 9.86979 11.0003 7.15815 10.094 7.19465 8.75798 numMergedOcc 0
29 mol 257 unq 0 iso 0 dist 8.95261 15.2818 7.82899 9.63067 7.14834 7.37187 numMergedOcc 0
30 mol 257 unq 1 iso 0 dist 7.80336 12.1004 7.82899 5.47761 7.14834 7.37187 numMergedOcc 0
31 mol 277 unq 0 iso 0 dist 9.64889 14.9226 9.29635 10.971 9.41725 13.8592 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 8.99442 15.1745 9.6898 3.91335 9.454 13.2729 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 8.99442 4.09108 5.75596 3.91335 9.454 6.58789 numMergedOcc 0
