0 mol 15 unq 0 iso 0 dist 8.0637 4.27439 7.42909 9.60736 5.61111 11.1852 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 5.9948 8.24316 8.34712 9.77719 7.77448 11.0435 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.25884 5.04007 5.00567 7.29121 10.3688 7.42839 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 8.25884 5.04007 5.00567 8.35847 12.639 10.2527 numMergedOcc 0
4 mol 68 unq 2 iso 0 dist 8.25884 6.60395 5.33771 7.29121 10.3688 11.3775 numMergedOcc 0
5 mol 68 unq 3 iso 0 dist 8.25884 6.60395 5.33771 8.35847 12.639 12.265 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.91055 8.60438 4.59148 7.15918 5.82228 6.55381 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.94991 5.22576 6.16048 9.27894 6.44712 5.09341 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 8.80094 8.66519 16.2482 8.96534 3.90323 16.3246 numMergedOcc 0
9 mol 168 unq 1 iso 0 dist 8.80094 8.66519 16.2482 8.65328 6.97182 17.2974 numMergedOcc 0
10 mol 168 unq 2 iso 0 dist 8.80094 8.66519 16.2482 5.69346 13.358 7.95609 numMergedOcc 0
11 mol 168 unq 3 iso 0 dist 9.03681 8.66519 5.21399 8.96534 15.9598 16.3246 numMergedOcc 0
12 mol 168 unq 4 iso 0 dist 9.03681 8.66519 5.21399 8.65328 16.9458 17.2974 numMergedOcc 0
13 mol 168 unq 5 iso 0 dist 9.03681 8.66519 5.21399 5.69346 4.92763 7.95609 numMergedOcc 0
14 mol 168 unq 6 iso 0 dist 8.07126 8.35731 16.2482 9.02836 3.90323 16.3246 numMergedOcc 0
15 mol 168 unq 7 iso 0 dist 8.07126 8.35731 16.2482 8.55388 13.358 7.95609 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 7.26569 5.62758 5.98722 8.52022 6.58887 5.15878 numMergedOcc 0
17 mol 220 unq 1 iso 0 dist 6.50591 5.62758 6.56312 8.52022 4.8632 5.15878 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 8.17234 5.95601 5.17118 9.69367 3.72432 6.80826 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 8.79012 5.16772 13.9264 7.97307 9.0549 11.432 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 8.79012 5.16772 13.9264 8.52702 17.1277 4.35925 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 9.477 9.51286 5.54798 6.61768 7.54309 7.90149 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 8.40448 9.72665 12.8228 8.93379 6.77003 7.38256 numMergedOcc 0
