0 mol 12 unq 0 iso 0 dist 7.4036 11.6972 6.96422 10.5078 9.90835 8.15488 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.89222 14.0527 7.3022 6.29981 6.07276 10.267 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.53735 5.19563 7.22361 8.87921 9.36924 4.15342 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.53735 14.2716 6.15893 8.87921 9.36924 12.8622 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.34599 14.7857 7.22361 17.7357 9.36924 4.15342 numMergedOcc 0
5 mol 26 unq 4 iso 0 dist 9.34599 7.23962 6.15893 17.7357 9.36924 12.8622 numMergedOcc 0
6 mol 26 unq 5 iso 0 dist 6.32127 7.23962 5.497 4.56199 6.7142 5.11733 numMergedOcc 0
7 mol 39 unq 0 iso 0 dist 8.04708 5.70213 6.24515 8.13434 8.20298 5.94068 numMergedOcc 0
8 mol 39 unq 1 iso 0 dist 8.04708 5.70213 6.24515 9.18004 6.13351 6.96883 numMergedOcc 0
9 mol 39 unq 2 iso 0 dist 8.04708 10.1297 6.47855 8.13434 8.20298 6.19061 numMergedOcc 0
10 mol 39 unq 3 iso 0 dist 8.04708 10.1297 6.47855 9.18004 6.13351 5.88718 numMergedOcc 0
11 mol 46 unq 0 iso 0 dist 8.5377 6.20913 6.61977 8.32637 5.96231 7.09057 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 5.39827 6.35361 7.46994 6.03422 8.60069 4.50442 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.7389 11.0222 7.03226 7.7447 7.46095 4.00608 numMergedOcc 0
14 mol 105 unq 0 iso 0 dist 8.60172 6.21149 5.03173 10.5216 7.77089 4.67929 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.14007 6.70767 5.26989 6.48796 5.29898 4.22522 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 5.80081 9.31967 4.25566 7.09621 7.42144 10.9801 numMergedOcc 0
17 mol 141 unq 2 iso 0 dist 5.80081 9.31967 4.25566 7.46533 6.27658 10.0279 numMergedOcc 0
18 mol 141 unq 3 iso 0 dist 5.80081 10.5556 6.63171 7.09621 7.42144 6.88786 numMergedOcc 0
19 mol 141 unq 4 iso 0 dist 5.80081 10.5556 6.63171 7.46533 6.27658 6.8633 numMergedOcc 0
20 mol 141 unq 5 iso 0 dist 5.80081 10.0306 7.67273 7.09621 7.42144 9.63622 numMergedOcc 0
21 mol 141 unq 6 iso 0 dist 5.80081 10.0306 7.67273 7.46533 6.27658 10.8428 numMergedOcc 0
22 mol 141 unq 7 iso 0 dist 9.45931 14.0561 7.31037 11.3431 9.27009 6.17069 numMergedOcc 0
23 mol 141 unq 8 iso 0 dist 6.49728 9.31967 7.31037 14.123 9.27009 6.17069 numMergedOcc 0
24 mol 159 unq 0 iso 0 dist 8.65596 6.56544 5.9032 9.89725 9.35202 4.27525 numMergedOcc 0
25 mol 159 unq 1 iso 0 dist 8.65596 5.20397 8.52082 9.89725 9.35202 10.5255 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 9.84311 13.1968 7.57454 10.8814 8.91971 4.09934 numMergedOcc 0
27 mol 278 unq 0 iso 0 dist 5.79682 9.91475 7.48235 8.71392 7.67837 4.52322 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 7.37358 10.1998 9.24367 9.64562 9.42255 10.5027 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 5.94224 6.63358 6.8972 7.17376 9.38222 5.77779 numMergedOcc 0
