0 mol 32 unq 0 iso 0 dist 8.72278 8.19716 7.6082 17.0866 13.5196 8.89682 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 8.91055 6.81831 9.56911 10.9414 6.91704 8.39015 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 4.3761 6.41542 8.04448 8.01128 10.9027 3.59451 numMergedOcc 0
3 mol 99 unq 0 iso 0 dist 5.64099 5.91888 7.09617 11.184 6.9006 8.23566 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 9.43472 11.3692 8.85708 14.6224 8.3896 5.24519 numMergedOcc 0
5 mol 141 unq 0 iso 0 dist 6.4822 7.41517 8.53875 15.0613 16.3227 9.98097 numMergedOcc 0
6 mol 180 unq 0 iso 0 dist 8.65601 13.9919 9.26812 9.99021 7.69346 8.86377 numMergedOcc 0
7 mol 180 unq 1 iso 0 dist 8.65601 13.9919 9.26812 19.3866 13.8772 8.47156 numMergedOcc 0
8 mol 180 unq 2 iso 0 dist 6.33325 3.72291 9.26812 8.26428 7.69346 8.86377 numMergedOcc 0
9 mol 180 unq 3 iso 0 dist 6.33325 3.72291 9.26812 11.3307 13.8772 8.47156 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 5.39622 3.77738 8.52322 9.43816 9.45075 8.40343 numMergedOcc 0
11 mol 209 unq 0 iso 0 dist 9.53923 6.61665 9.39076 8.93728 6.9812 9.56015 numMergedOcc 0
12 mol 209 unq 1 iso 0 dist 9.36656 4.83637 7.81082 11.6071 3.96458 8.58893 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 8.17234 15.8841 9.33775 16.3541 8.62656 8.86628 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 8.15743 6.92292 8.21479 7.38809 8.47021 4.46314 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 7.45786 11.9127 9.87224 11.6817 7.04644 4.21935 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.44043 6.69333 5.53473 9.41308 5.62491 9.26487 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 5.3435 8.08381 5.53473 6.6688 5.62491 9.26487 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 8.28364 7.8177 5.53473 10.2661 5.62491 9.26487 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 4.76689 5.42082 6.23198 10.0096 8.67927 8.66784 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 4.76689 5.42082 6.23198 7.246 8.55761 8.3298 numMergedOcc 0
21 mol 260 unq 2 iso 0 dist 7.26455 5.42082 8.82216 10.0096 5.31221 8.66784 numMergedOcc 0
22 mol 260 unq 3 iso 0 dist 7.26455 5.42082 8.82216 7.246 5.33348 8.3298 numMergedOcc 0
23 mol 260 unq 4 iso 0 dist 8.79012 12.4464 6.23198 17.1672 8.67927 8.66784 numMergedOcc 0
24 mol 260 unq 5 iso 0 dist 8.79012 12.4464 6.23198 15.1464 8.55761 8.3298 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 8.40448 12.5049 7.67032 19.5011 15.5265 7.88102 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 8.40448 12.5049 7.67032 20.3713 14.5929 7.93694 numMergedOcc 0
