0 mol 1 unq 0 iso 0 dist 9.34725 7.68779 11.5373 7.16224 8.69605 10.2665 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 7.96836 8.48453 13.5023 5.21083 7.34681 6.53817 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 7.96836 8.80499 15.703 5.21083 7.34681 9.81769 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 9.50568 7.06199 4.38082 10.2834 5.52834 8.52254 numMergedOcc 0
4 mol 53 unq 0 iso 0 dist 6.86092 7.80805 8.38029 4.79821 6.70095 11.7457 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 7.45482 9.99643 4.78811 6.28699 8.8795 12.1145 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.75977 8.22406 9.54167 10.7488 8.15664 14.4679 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 5.57391 8.5073 6.7474 4.73115 8.68674 11.1598 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.93751 7.63658 14.2013 10.5552 9.3757 17.9516 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 9.93751 7.63658 14.2013 11.4776 9.42014 15.8477 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 9.93751 7.65229 6.29923 10.5552 9.3757 11.0565 numMergedOcc 0
11 mol 112 unq 3 iso 0 dist 9.93751 7.65229 6.29923 11.4776 9.42014 5.81552 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.98949 9.64856 9.5945 12.1136 6.08846 15.5777 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 8.98949 9.64856 9.5945 15.0398 9.19171 17.0491 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 8.98949 6.38977 7.47571 12.1136 6.08846 11.5954 numMergedOcc 0
15 mol 131 unq 3 iso 0 dist 8.98949 6.38977 7.47571 15.0398 9.19171 16.2977 numMergedOcc 0
16 mol 131 unq 4 iso 0 dist 8.98949 9.69757 12.885 12.1136 6.08846 16.1222 numMergedOcc 0
17 mol 131 unq 5 iso 0 dist 8.98949 9.69757 12.885 15.0398 9.19171 21.6514 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 8.58873 9.0339 5.28089 8.84157 6.94745 6.495 numMergedOcc 0
19 mol 132 unq 1 iso 0 dist 8.58873 8.48641 4.50065 8.84157 6.94745 9.43748 numMergedOcc 0
20 mol 132 unq 2 iso 0 dist 8.58873 6.23573 10.672 8.84157 6.94745 12.0928 numMergedOcc 0
21 mol 167 unq 0 iso 0 dist 6.26373 4.93984 4.70374 4.72853 7.20545 8.58946 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.21606 6.96824 5.32364 13.2658 9.40718 9.63295 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.21606 9.25528 9.56466 13.2658 9.40718 18.8903 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.32876 7.22378 5.38982 9.77666 8.57274 12.9994 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 8.12646 8.27977 8.00087 4.91933 7.83793 10.8434 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 9.40407 7.28096 12.3043 9.16384 8.40726 13.6466 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 9.40407 7.28096 12.3043 9.16384 8.40726 13.6466 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 9.40407 7.28096 12.3043 9.16384 8.40726 13.6466 numMergedOcc 0
29 mol 293 unq 0 iso 0 dist 8.84911 8.90008 12.7881 11.1018 9.65156 16.2182 numMergedOcc 0
