0 mol 20 unq 0 iso 0 dist 7.6876 6.44693 9.69257 8.28579 11.8373 7.11633 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.25761 9.15677 4.52042 12.1626 8.62527 9.7522 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.02604 9.15677 11.1182 12.1626 12.9904 9.7522 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 6.81211 8.2513 9.79109 10.0786 15.2293 9.77553 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 7.34695 7.51978 5.65405 8.88887 8.34361 5.97635 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.27688 7.28711 8.76904 12.1555 16.7695 9.3931 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 8.37011 7.63658 7.46874 6.50047 10.4713 7.53905 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 8.37011 7.65229 7.97204 6.50047 10.4713 7.15985 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 9.34944 8.14907 4.97552 4.65448 7.49276 4.44292 numMergedOcc 0
9 mol 159 unq 0 iso 0 dist 6.95704 7.78695 5.91367 6.08143 10.1297 7.97007 numMergedOcc 0
10 mol 213 unq 0 iso 0 dist 6.60512 6.77104 11.275 12.1 17.5606 7.88794 numMergedOcc 0
11 mol 213 unq 1 iso 0 dist 6.99636 6.77104 7.02346 12.1 14.4816 7.88794 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.68994 6.83122 5.68711 6.06185 14.1717 9.51764 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 9.68994 6.83122 5.68711 12.1024 7.71569 5.36829 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 5.2059 7.14277 5.60111 6.63165 9.27422 7.85877 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 8.0425 5.76077 7.07333 5.03278 11.624 5.89502 numMergedOcc 0
16 mol 253 unq 1 iso 0 dist 8.0425 5.76077 7.07333 4.58695 8.11437 7.15815 numMergedOcc 0
17 mol 253 unq 2 iso 0 dist 7.0141 7.0247 7.07333 12.6079 11.624 5.89502 numMergedOcc 0
18 mol 253 unq 3 iso 0 dist 7.0141 7.0247 7.07333 11.088 8.11437 7.15815 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 9.52832 7.22438 6.09229 7.51377 13.5696 9.96394 numMergedOcc 0
