0 mol 17 unq 0 iso 0 dist 7.96836 8.48453 13.5023 5.21083 7.34681 6.53817 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.96836 8.80499 15.703 5.21083 7.34681 9.81769 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 8.49309 8.48453 16.6172 5.21083 12.5763 6.53817 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 8.49309 8.80499 16.0163 5.21083 12.5763 9.81769 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 9.50568 7.06199 4.38082 10.2834 5.52834 8.52254 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 6.86092 7.80805 8.38029 8.86683 11.4138 8.62669 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.90164 6.6606 6.96386 9.1401 13.7749 7.14865 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.87546 7.28711 10.7033 7.54043 14.3448 8.30169 numMergedOcc 0
8 mol 91 unq 1 iso 0 dist 8.87546 7.28711 10.7033 8.05785 16.4471 8.91983 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 9.93751 7.65229 6.29923 11.4776 9.42014 5.81552 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 8.58873 9.0339 5.28089 14.2364 10.9107 6.2403 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 8.58873 9.0339 5.28089 8.84157 6.94745 6.495 numMergedOcc 0
12 mol 132 unq 2 iso 0 dist 8.58873 8.48641 4.50065 14.2364 10.9107 8.34869 numMergedOcc 0
13 mol 132 unq 3 iso 0 dist 8.58873 8.48641 4.50065 8.84157 6.94745 9.43748 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 6.26373 4.93984 4.70374 4.72853 7.20545 8.58946 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 8.94308 4.93984 6.05722 4.72853 12.2548 8.58946 numMergedOcc 0
16 mol 167 unq 2 iso 0 dist 9.74227 4.93984 8.90206 4.72853 12.8904 8.58946 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 8.88463 7.04318 6.01639 8.21784 11.553 6.73365 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 7.21606 6.96824 5.32364 13.2658 9.40718 9.63295 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 9.9479 7.96424 17.1899 4.36623 10.7459 7.30244 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 9.9479 7.96424 17.1899 7.60777 14.5718 9.58343 numMergedOcc 0
21 mol 220 unq 2 iso 0 dist 9.9479 5.40366 12.7759 4.36623 10.7459 7.29796 numMergedOcc 0
22 mol 276 unq 0 iso 0 dist 8.63212 6.24808 9.50779 7.74891 11.7609 8.95876 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 8.12646 8.27977 8.00087 8.89193 11.5899 5.17586 numMergedOcc 0
