0 mol 27 unq 0 iso 0 dist 5.80623 9.1735 9.52474 5.45556 7.45532 13.9181 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.24775 10.6901 9.52474 14.2929 7.45532 13.9181 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 7.43804 13.2064 6.7117 12.4403 8.43352 7.32662 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 7.43804 5.65902 4.47349 12.4403 8.43352 6.934 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 7.43804 7.85074 5.65185 12.4403 8.43352 7.17433 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.10479 8.43108 9.23858 8.3604 7.91683 3.78311 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 9.96946 12.8587 9.72053 15.9537 8.91311 6.24241 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 9.96946 14.7321 7.7949 15.9537 8.91311 11.6508 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.74658 6.82985 9.90168 6.53994 5.56627 5.89022 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 8.74658 6.82985 9.90168 13.4383 8.50562 9.32969 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 5.80081 7.59723 8.10291 6.27844 9.78667 11.2667 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 5.80081 7.59723 8.10291 6.2491 8.47026 7.52924 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 6.35397 5.64577 9.97343 12.0446 7.64956 13.8236 numMergedOcc 0
13 mol 141 unq 3 iso 0 dist 6.35397 12.3864 9.70413 12.0446 7.64956 6.30121 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 6.97467 15.2799 9.00416 7.94812 7.46845 12.962 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 5.6688 11.4901 9.72611 6.09526 7.11785 5.93488 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 6.21588 7.58285 7.32294 10.2224 5.91727 5.74707 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.20651 12.9835 8.80683 11.576 6.26945 10.142 numMergedOcc 0
18 mol 226 unq 1 iso 0 dist 9.20651 13.1572 6.11704 11.576 6.26945 6.05184 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 6.78301 10.8238 7.41478 12.2119 6.07878 5.65087 numMergedOcc 0
20 mol 278 unq 0 iso 0 dist 9.58671 11.4295 8.00673 5.37654 7.21972 6.54009 numMergedOcc 0
21 mol 278 unq 1 iso 0 dist 9.58671 9.50272 6.62841 5.37654 7.21972 5.73336 numMergedOcc 0
22 mol 278 unq 2 iso 0 dist 8.60481 13.5463 8.00673 9.21229 7.21972 6.54009 numMergedOcc 0
23 mol 278 unq 3 iso 0 dist 8.60481 5.81569 6.62841 9.21229 7.21972 5.73336 numMergedOcc 0
