0 mol 28 unq 0 iso 0 dist 8.77833 15.1315 8.70005 11.5083 9.05939 6.20881 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.77833 15.1315 8.70005 6.81477 9.38747 11.4016 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 6.73832 11.6727 7.02351 7.87577 6.7939 5.4653 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 6.73832 11.6727 7.02351 10.5032 6.85356 4.63063 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 7.2533 8.06457 8.28948 8.17578 8.88401 5.07523 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.41815 16.6797 8.592 16.3917 8.75093 5.53478 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 9.08232 7.49569 9.40544 8.40361 8.8894 10.2375 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 9.67137 13.8016 9.64304 9.39493 8.48363 4.77979 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 7.56704 4.1643 7.8034 5.63383 9.14809 9.45822 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 7.56704 4.1643 7.8034 10.4812 6.45169 10.1774 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.03873 5.80021 6.89564 10.9506 9.82274 5.32245 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.31413 6.63023 6.89564 8.13581 9.82274 5.32245 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.70189 8.76449 8.18741 9.24092 6.55445 5.496 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 7.53667 6.78674 7.99446 9.01449 9.54774 8.8525 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 7.53667 5.79944 7.21636 9.01449 9.54774 12.5216 numMergedOcc 0
15 mol 180 unq 0 iso 0 dist 8.74766 16.6015 8.86377 5.98792 9.68557 14.9732 numMergedOcc 0
16 mol 180 unq 1 iso 0 dist 8.74766 11.1301 8.47156 5.98792 9.68557 6.88051 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 8.64406 6.71483 5.13722 4.09491 8.49577 8.78766 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.92113 9.16344 9.56271 7.38726 9.57625 13.0906 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 8.92113 9.16344 9.56271 10.0087 8.08702 4.56028 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 6.19798 4.56782 7.10689 4.98993 7.99609 9.50337 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 9.39819 9.98606 6.04688 12.5156 5.70674 4.88298 numMergedOcc 0
22 mol 256 unq 0 iso 0 dist 9.92314 5.78517 8.11884 5.88618 9.92947 10.2154 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 5.04068 5.52381 8.34471 8.45406 9.53832 8.44005 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 9.52075 6.0296 8.34471 12.8499 9.53832 8.44005 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 5.71012 8.80297 9.64886 9.99305 8.96253 14.3335 numMergedOcc 0
26 mol 261 unq 1 iso 0 dist 8.60739 8.44258 9.64886 7.35811 8.96253 14.3335 numMergedOcc 0
27 mol 267 unq 0 iso 0 dist 8.43688 7.25577 5.32643 5.76909 6.79491 9.17078 numMergedOcc 0
28 mol 283 unq 0 iso 0 dist 9.0626 11.4546 6.15136 6.82967 6.53354 6.84734 numMergedOcc 0
29 mol 283 unq 1 iso 0 dist 9.0626 11.4546 6.15136 9.83224 6.93798 4.67572 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 6.79581 7.12701 8.75275 15.283 9.84741 13.9343 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 6.79581 7.12701 8.75275 15.283 9.84741 13.9343 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 6.79581 7.12701 8.75275 15.283 9.84741 13.9343 numMergedOcc 0
