0 mol 8 unq 0 iso 0 dist 8.76702 4.11115 8.89145 11.382 13.2274 8.68949 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.27477 4.11115 6.92865 11.382 8.33226 8.68949 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.48453 5.21083 6.53817 10.5316 10.1064 9.5937 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.48453 5.21083 6.53817 7.96836 13.5023 7.34681 numMergedOcc 0
4 mol 17 unq 2 iso 0 dist 8.80499 5.21083 9.81769 10.5316 11.3627 9.5937 numMergedOcc 0
5 mol 17 unq 3 iso 0 dist 8.80499 5.21083 9.81769 7.96836 15.703 7.34681 numMergedOcc 0
6 mol 42 unq 0 iso 0 dist 7.06199 10.2834 8.52254 9.50568 4.38082 5.52834 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 8.31551 9.66217 8.64208 12.7882 13.0612 8.27009 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 8.31551 9.66217 8.64208 15.1088 11.8891 5.80736 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.65229 11.4776 5.81552 9.93751 6.29923 9.42014 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 9.0339 8.84157 6.495 8.58873 5.28089 6.94745 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 8.48641 8.84157 9.43748 8.58873 4.50065 6.94745 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.72463 12.8171 7.5984 10.8089 9.02772 5.40826 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 4.93984 4.72853 8.58946 6.26373 4.70374 7.20545 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.96824 13.2658 9.63295 16.1051 9.40823 8.92801 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 6.96824 13.2658 9.63295 7.21606 5.32364 9.40718 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 8.3035 10.8341 9.4835 16.5544 13.1789 5.86911 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 8.3035 10.8341 9.4835 16.1376 10.1543 7.89258 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 6.83122 16.1937 9.40003 23.9107 17.1162 7.82201 numMergedOcc 0
19 mol 214 unq 3 iso 0 dist 9.01896 9.47512 9.4835 14.1546 13.1789 5.86911 numMergedOcc 0
20 mol 214 unq 4 iso 0 dist 9.01896 9.47512 9.4835 13.5033 10.1543 7.89258 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 7.96424 4.36623 7.30244 10.4047 12.2765 6.39087 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 7.96424 7.60777 9.58343 10.4047 12.2765 9.86144 numMergedOcc 0
23 mol 220 unq 2 iso 0 dist 5.40366 4.36623 7.29796 10.4047 13.2427 6.39087 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 8.62971 7.14491 6.40592 13.6984 7.3737 7.26758 numMergedOcc 0
25 mol 261 unq 0 iso 0 dist 7.7309 11.0146 9.43169 14.5563 7.78464 8.88741 numMergedOcc 0
26 mol 276 unq 0 iso 0 dist 6.24808 7.74891 8.95876 14.6188 11.5806 9.87655 numMergedOcc 0
27 mol 284 unq 0 iso 0 dist 7.18433 11.764 7.34344 17.773 13.4636 7.74965 numMergedOcc 0
28 mol 284 unq 1 iso 0 dist 9.27402 15.519 7.35866 11.7231 7.26724 7.66585 numMergedOcc 0
29 mol 284 unq 2 iso 0 dist 9.26573 15.519 7.32482 11.7231 5.44847 7.66585 numMergedOcc 0
30 mol 284 unq 3 iso 0 dist 9.26573 16.3452 8.08993 10.4793 4.76222 7.74965 numMergedOcc 0
