0 mol 0 unq 0 iso 0 dist 9.94248 16.5727 9.23213 18.3063 9.30151 7.40865 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.20338 11.7203 8.21493 12.7864 6.33828 7.07399 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.04865 12.4435 8.23643 18.8138 14.4867 7.75618 numMergedOcc 0
3 mol 21 unq 0 iso 0 dist 8.038 10.7452 6.08338 17.9599 10.2036 9.06424 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 8.34024 14.1006 8.68559 8.91744 7.14527 7.99969 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.15367 11.9657 8.36431 12.1543 10.2475 8.91313 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.15367 11.9657 8.36431 14.7793 6.94695 8.16392 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.82043 5.2995 6.58204 11.7697 10.0891 7.01812 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.82043 7.58985 7.75343 11.7697 10.0891 8.30845 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 9.82043 7.58985 7.75343 11.9943 4.44538 8.76378 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 9.03277 5.72266 6.79146 5.96506 6.08911 7.88805 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 9.03277 5.96312 7.66168 5.96506 6.08911 7.90048 numMergedOcc 0
12 mol 130 unq 2 iso 0 dist 9.03277 5.96312 7.66168 14.4087 11.562 9.99802 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 8.47477 6.39035 6.27641 13.3315 5.05683 9.4013 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 8.57453 9.27577 6.27641 13.313 5.05683 9.4013 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 9.23118 5.40949 6.73313 9.68323 5.8726 6.73956 numMergedOcc 0
16 mol 182 unq 1 iso 0 dist 9.23118 5.40949 6.73313 10.8403 10.7622 7.09394 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 5.59438 9.56234 9.52936 10.7055 7.4793 6.42735 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 5.40592 5.03763 6.47873 10.6315 10.7231 8.65535 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 9.30817 12.8875 8.36117 12.6062 4.4994 9.26504 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 8.77324 5.19217 8.19953 11.3309 6.99977 9.51597 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 7.29546 5.19684 5.65339 6.86251 7.96337 6.21292 numMergedOcc 0
22 mol 235 unq 1 iso 0 dist 7.29546 5.19684 5.65339 6.20377 4.29892 6.95126 numMergedOcc 0
23 mol 235 unq 2 iso 0 dist 8.60471 5.47633 9.58736 14.186 13.128 9.55668 numMergedOcc 0
24 mol 235 unq 3 iso 0 dist 8.60471 10.2835 9.43058 18.4708 17.5445 9.21736 numMergedOcc 0
25 mol 235 unq 4 iso 0 dist 8.60471 15.2767 6.98084 17.9826 11.921 8.69356 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.61709 5.79022 6.05141 10.8305 11.5793 8.94014 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 8.61709 10.8459 8.09066 10.8305 11.5793 7.02333 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 8.61709 13.1103 7.2766 10.8305 11.5793 8.67864 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 9.67417 10.0289 9.0012 9.14393 9.76317 7.16853 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 8.33004 15.5637 9.19234 17.0191 12.625 9.45514 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 8.33004 15.5637 9.19234 12.7847 4.60275 6.39866 numMergedOcc 0
32 mol 274 unq 2 iso 0 dist 5.42845 13.002 9.19234 14.0223 12.625 9.45514 numMergedOcc 0
33 mol 274 unq 3 iso 0 dist 5.42845 13.002 9.19234 9.67276 4.60275 6.39866 numMergedOcc 0
34 mol 274 unq 4 iso 0 dist 5.62484 10.2307 9.19234 14.0902 12.625 9.45514 numMergedOcc 0
35 mol 274 unq 5 iso 0 dist 5.62484 10.2307 9.19234 9.02661 4.60275 6.39866 numMergedOcc 0
36 mol 278 unq 0 iso 0 dist 7.76881 9.40662 6.35287 14.3692 7.83538 8.00673 numMergedOcc 0
