0 mol 26 unq 0 iso 0 dist 6.85245 9.15677 5.71065 14.8485 11.3324 7.34549 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.85245 9.15677 5.71065 16.9454 12.9949 8.09068 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 6.85245 9.15677 5.71065 17.4951 15.2902 9.72289 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 8.43571 9.61029 5.71065 11.9913 11.3324 7.34549 numMergedOcc 0
4 mol 26 unq 4 iso 0 dist 8.43571 9.61029 5.71065 11.6671 12.9949 8.09068 numMergedOcc 0
5 mol 26 unq 5 iso 0 dist 8.43571 9.61029 5.71065 15.9266 15.2902 9.72289 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 9.1695 7.51978 15.6611 6.11985 13.8067 6.13476 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 9.0481 9.84668 4.22861 11.8129 10.6442 6.65465 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.97658 6.9538 5.71534 6.24587 10.3054 9.35212 numMergedOcc 0
9 mol 110 unq 0 iso 0 dist 8.38998 6.59361 8.63598 7.35494 13.3245 8.1306 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 8.58873 6.23573 10.672 4.73274 10.1688 7.84864 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 6.26373 4.93984 4.70374 7.78944 11.8563 9.21386 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 8.94308 4.93984 6.05722 7.78944 12.9531 9.21386 numMergedOcc 0
13 mol 167 unq 2 iso 0 dist 9.74227 4.93984 8.90206 7.78944 13.2443 9.21386 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.88463 8.50904 6.93308 9.52671 12.7206 7.94593 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 7.21606 6.96824 5.32364 6.57868 10.6164 9.50454 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.21606 6.96824 5.32364 8.05561 7.90753 8.80581 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 7.21606 9.25528 9.56466 6.57868 10.6164 7.15963 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 9.9479 7.96424 17.1899 10.5016 19.6049 6.93717 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 8.67562 8.92185 6.68357 8.0584 12.3244 9.88432 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 6.9659 9.82174 5.48771 8.0362 10.2067 8.39522 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 6.9659 9.2521 14.301 8.0362 10.2067 5.99187 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 6.9659 8.51359 15.0149 8.0362 10.2067 9.93378 numMergedOcc 0
23 mol 271 unq 0 iso 0 dist 6.33151 9.04738 12.409 7.75956 11.7345 7.06108 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.12646 8.27977 8.00087 11.9125 9.87771 7.63115 numMergedOcc 0
