0 mol 24 unq 0 iso 0 dist 8.52839 5.11382 6.79749 10.4706 9.58012 9.65174 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 7.63894 6.02596 4.67883 6.23206 7.51138 9.49744 numMergedOcc 0
2 mol 90 unq 1 iso 0 dist 7.63894 6.02596 4.67883 12.753 9.86843 13.1387 numMergedOcc 0
3 mol 90 unq 2 iso 0 dist 7.63894 6.02596 4.67883 12.3706 6.86146 11.2433 numMergedOcc 0
4 mol 90 unq 3 iso 0 dist 7.63894 6.02596 4.67883 12.9414 8.83296 10.0174 numMergedOcc 0
5 mol 90 unq 4 iso 0 dist 6.17315 8.17454 4.67883 6.59471 7.51138 9.49744 numMergedOcc 0
6 mol 90 unq 5 iso 0 dist 6.17315 8.17454 4.67883 12.5885 9.86843 13.1387 numMergedOcc 0
7 mol 90 unq 6 iso 0 dist 6.17315 8.17454 4.67883 9.78924 6.86146 11.2433 numMergedOcc 0
8 mol 90 unq 7 iso 0 dist 6.17315 8.17454 4.67883 14.6058 8.83296 10.0174 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.21739 8.61597 10.1484 3.74136 5.51624 6.46217 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 4.78377 8.61597 10.2139 3.74136 7.8674 6.46217 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 7.46327 5.96189 5.99863 8.69953 5.51624 9.30843 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 7.46327 5.96189 5.99863 8.48621 7.8674 6.25522 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 6.20301 6.40989 9.65072 8.18162 5.46988 12.0623 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 6.20301 6.40989 9.65072 8.69165 9.92553 9.67274 numMergedOcc 0
15 mol 111 unq 0 iso 0 dist 5.61533 6.33923 4.26808 7.46433 8.77841 11.3649 numMergedOcc 0
16 mol 111 unq 1 iso 0 dist 5.61533 9.9801 10.1254 7.46433 8.77841 16.4776 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.04112 8.14978 5.50466 5.44816 8.93453 8.88454 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 7.83509 7.50372 4.60996 4.52246 9.23528 6.37938 numMergedOcc 0
19 mol 147 unq 1 iso 0 dist 7.01483 5.39386 9.33236 5.88056 9.23528 9.032 numMergedOcc 0
20 mol 147 unq 2 iso 0 dist 7.01483 5.79819 9.20965 5.88056 9.23528 7.19893 numMergedOcc 0
21 mol 147 unq 3 iso 0 dist 7.01483 6.03024 4.60996 5.88056 9.23528 6.37938 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.67802 7.00382 8.54557 14.8027 8.12349 13.9314 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 7.84953 6.46335 11.2216 13.3105 8.93185 18.1529 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 4.57726 6.46335 5.46009 8.98232 9.06334 14.0126 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.24118 9.31268 14.2452 15.4849 9.89583 16.7578 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 9.27529 8.88629 6.33781 10.4532 8.55481 11.6079 numMergedOcc 0
27 mol 294 unq 0 iso 0 dist 4.37724 7.58948 4.65086 10.0048 7.41079 10.2502 numMergedOcc 0
