0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 16.4903 9.19007 9.64573 13.9478 7.02374 12.7627 7.92928 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.20552 15.1647 8.41585 6.49868 7.88043 10.2446 15.12 12.2708 10.672 9.55056 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.20552 15.1647 8.41585 6.49868 7.88043 10.2446 12.057 6.06176 6.36911 7.45262 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.20552 15.1647 8.41585 8.07954 8.80762 12.3097 15.12 12.2708 10.672 7.57354 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 9.20552 15.1647 8.41585 8.07954 8.80762 12.3097 12.057 6.06176 6.36911 6.96586 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 6.51881 6.34525 11.128 11.5339 5.31367 12.383 8.06525 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 5.06555 7.75534 8.75408 10.214 8.93905 7.27181 9.68343 8.94259 12.865 8.43028 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 5.06555 5.61914 6.44653 10.214 8.93905 10.5192 9.68343 8.94259 13.6677 8.43028 numMergedOcc 0
8 mol 178 unq 0 iso 0 dist 8.04723 14.4072 6.69288 5.24118 4.92088 10.1489 5.85439 5.25267 10.5498 5.98771 numMergedOcc 0
9 mol 178 unq 1 iso 0 dist 8.04723 13.0519 6.43573 5.24118 4.92088 8.27339 5.85439 5.25267 11.4139 5.98771 numMergedOcc 0
10 mol 178 unq 2 iso 0 dist 8.04723 10.5681 7.17202 5.24118 4.92088 9.79302 5.85439 5.25267 10.2288 5.98771 numMergedOcc 0
11 mol 178 unq 3 iso 0 dist 8.04723 9.1499 8.81551 5.24118 4.92088 8.65097 5.85439 5.25267 11.4815 5.98771 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 8.27794 4.89429 9.09537 8.07046 7.20392 5.93488 9.34871 6.14208 7.20046 7.345 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 8.27794 4.89429 9.09537 8.07046 7.20392 5.93488 5.55727 5.95965 7.13543 9.52987 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 7.94344 7.31014 8.82096 6.27546 8.46327 10.2399 12.3931 10.7373 12.3623 7.2498 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 8.97461 10.4685 6.22714 11.3332 5.64181 10.216 10.3728 10.4664 10.5202 8.6597 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 8.97461 10.4685 6.22714 11.3332 5.64181 10.216 15.2625 11.2717 12.1784 7.47235 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 8.97461 10.4685 6.22714 11.3332 5.64181 10.216 13.9178 5.17471 7.49471 6.44735 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 8.97461 10.4685 6.22714 11.3332 5.64181 10.216 12.2479 5.03393 10.9946 5.91208 numMergedOcc 0
19 mol 238 unq 4 iso 0 dist 8.97461 11.6506 7.31233 11.3332 5.64181 7.83352 10.3728 10.4664 6.55759 8.6597 numMergedOcc 0
20 mol 238 unq 5 iso 0 dist 8.97461 11.6506 7.31233 11.3332 5.64181 7.83352 15.2625 11.2717 7.02475 7.47235 numMergedOcc 0
21 mol 238 unq 6 iso 0 dist 8.97461 11.6506 7.31233 11.3332 5.64181 7.83352 13.9178 5.17471 7.19008 6.44735 numMergedOcc 0
22 mol 238 unq 7 iso 0 dist 8.97461 11.6506 7.31233 11.3332 5.64181 7.83352 12.2479 5.03393 11.3465 5.91208 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 6.65233 7.78423 9.17653 6.79049 6.14323 13.0621 16.0802 12.3807 21.0973 9.42738 numMergedOcc 0
24 mol 294 unq 0 iso 0 dist 7.77765 9.62211 8.15665 5.94806 9.13907 5.25615 7.86196 6.17102 9.03492 8.32473 numMergedOcc 0
