0 mol 1 unq 0 iso 0 dist 9.34725 7.68779 11.5373 5.96722 14.2456 6.4181 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.30501 7.68779 4.58277 5.96722 7.81034 6.4181 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.85245 9.15677 5.71065 12.1626 6.67455 9.7522 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.43571 9.61029 5.71065 7.53125 6.67455 9.7522 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 9.1695 7.51978 15.6611 8.88887 14.0596 5.97635 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 7.45482 9.99643 4.78811 11.5723 8.6338 7.52103 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 7.45482 9.99643 4.78811 3.60123 7.31677 8.46556 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 9.8917 6.89185 9.15854 4.67605 11.4381 9.10981 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.8917 7.97217 5.12682 5.93341 8.12903 9.44916 numMergedOcc 0
9 mol 86 unq 0 iso 0 dist 8.8236 5.49793 7.89966 9.86291 16.2616 8.88225 numMergedOcc 0
10 mol 86 unq 1 iso 0 dist 8.8236 5.49793 7.89966 9.22136 13.822 9.49308 numMergedOcc 0
11 mol 91 unq 0 iso 0 dist 8.87546 7.28711 10.7033 12.1555 17.3513 9.3931 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 8.38998 6.59361 8.63598 4.88877 9.62311 9.73174 numMergedOcc 0
13 mol 110 unq 1 iso 0 dist 8.38998 6.59361 8.63598 7.46387 11.7694 9.65418 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 9.93751 7.63658 14.2013 6.50047 12.7328 7.53905 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 9.93751 7.65229 6.29923 6.50047 12.7328 7.15985 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.26373 4.93984 4.70374 6.87303 11.8028 8.14096 numMergedOcc 0
17 mol 167 unq 1 iso 0 dist 6.26373 4.93984 4.70374 6.01114 6.28957 8.43038 numMergedOcc 0
18 mol 167 unq 2 iso 0 dist 6.26373 4.93984 4.70374 9.04662 7.34285 9.87966 numMergedOcc 0
19 mol 167 unq 3 iso 0 dist 8.94308 4.93984 6.05722 6.87303 10.1531 8.14096 numMergedOcc 0
20 mol 167 unq 4 iso 0 dist 8.94308 4.93984 6.05722 6.01114 13.9952 8.43038 numMergedOcc 0
21 mol 167 unq 5 iso 0 dist 8.94308 4.93984 6.05722 9.04662 15.887 9.87966 numMergedOcc 0
22 mol 167 unq 6 iso 0 dist 9.74227 4.93984 8.90206 6.87303 9.63473 8.14096 numMergedOcc 0
23 mol 167 unq 7 iso 0 dist 9.74227 4.93984 8.90206 6.01114 15.61 8.43038 numMergedOcc 0
24 mol 167 unq 8 iso 0 dist 9.74227 4.93984 8.90206 9.04662 18.1415 9.87966 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 9.75129 6.22696 6.04016 6.19883 10.219 8.3337 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 9.75129 8.12158 5.51233 6.19883 10.219 5.41292 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 6.9659 9.82174 5.48771 11.6082 10.7627 6.24928 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 6.33151 5.98336 5.08815 5.17979 10.2406 9.36832 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 8.12646 8.27977 8.00087 4.0145 9.8701 7.74162 numMergedOcc 0
30 mol 293 unq 0 iso 0 dist 8.84911 8.90008 12.7881 12.4441 16.329 6.27435 numMergedOcc 0
