0 mol 5 unq 0 iso 0 dist 6.94591 4.51071 5.63302 11.2967 5.8674 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.94591 4.51071 5.63302 11.6275 6.88126 8.31759 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 6.94591 3.69127 4.55639 11.2967 5.8674 8.68577 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 6.94591 3.69127 4.55639 11.6275 6.88126 8.13672 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 6.94591 3.81534 5.70163 11.2967 5.8674 9.70883 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 6.94591 3.81534 5.70163 11.6112 11.1601 9.65565 numMergedOcc 0
6 mol 28 unq 0 iso 0 dist 9.20625 9.71507 7.49391 8.92334 4.23443 9.74532 numMergedOcc 0
7 mol 28 unq 1 iso 0 dist 8.33169 10.1805 8.47637 12.664 13.6544 8.53424 numMergedOcc 0
8 mol 28 unq 2 iso 0 dist 8.33169 10.1805 8.47637 8.97167 11.0902 7.08766 numMergedOcc 0
9 mol 28 unq 3 iso 0 dist 8.33169 10.1805 8.47637 8.8182 8.59089 4.82199 numMergedOcc 0
10 mol 30 unq 0 iso 0 dist 6.39025 13.3145 8.28218 15.4403 9.23676 9.63882 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 5.1524 3.82317 7.02043 7.34765 3.38209 7.53342 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.14817 6.1672 8.56285 5.28634 11.8161 4.88514 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.80683 13.9047 7.70581 17.2905 8.99049 5.60448 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 5.07226 10.3186 7.70581 13.2382 8.99049 5.60448 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 9.25597 10.1931 9.39809 6.27378 6.05322 5.10589 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 9.25597 10.5136 8.38775 6.27378 6.05322 4.63336 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 9.46831 6.3474 9.07582 11.8306 13.7118 8.66082 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.96942 13.664 8.53393 21.2369 13.7573 7.8598 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 9.96942 13.664 8.53393 14.8852 10.0357 8.25286 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 9.96942 13.7979 7.24165 21.2369 13.7573 7.80711 numMergedOcc 0
21 mol 266 unq 3 iso 0 dist 9.96942 13.7979 7.24165 14.8852 10.0357 9.9965 numMergedOcc 0
22 mol 268 unq 0 iso 0 dist 7.30388 6.07203 6.38058 5.49906 6.58875 9.52476 numMergedOcc 0
23 mol 283 unq 0 iso 0 dist 4.1631 7.97597 9.90494 12.8647 12.6476 7.31132 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 7.89324 5.13698 9.97939 5.55176 7.67746 4.68668 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.89324 5.13698 9.97939 5.55176 7.67746 4.68668 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 7.89324 5.13698 9.97939 5.55176 7.67746 4.68668 numMergedOcc 0
