0 mol 10 unq 0 iso 0 dist 9.06457 5.04413 7.14537 12.4447 7.92569 9.39486 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.94577 12.0204 7.44277 18.3257 9.7883 8.07318 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.23033 9.74667 8.34145 14.1291 12.7961 9.50614 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 6.54758 14.134 9.47401 12.5227 6.59528 5.76961 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.91605 4.19129 8.46627 6.43707 5.30471 9.22208 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.43707 4.19129 9.22208 7.91605 5.30471 8.46627 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 6.98077 10.3696 7.5573 9.82702 3.69499 9.58633 numMergedOcc 0
7 mol 157 unq 0 iso 0 dist 9.35772 11.0863 8.40821 14.501 5.28985 9.86925 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 9.95076 5.09521 9.43904 7.76112 3.77838 7.01095 numMergedOcc 0
9 mol 162 unq 1 iso 0 dist 7.76112 5.09521 7.01095 9.95076 3.77838 9.43904 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 7.99933 5.32701 5.67168 11.3366 5.14122 7.74579 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 7.99933 5.32701 5.67168 10.5943 6.05141 5.86483 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 7.7734 7.51045 5.86483 10.8734 3.53902 8.36129 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.71347 12.4426 6.40171 16.1518 8.2248 5.03818 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 5.07975 6.84149 8.14294 4.85015 3.58181 5.72 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 5.07975 6.84149 8.14294 8.15345 8.23638 6.84052 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 4.85015 6.84149 5.72 5.07975 3.58181 8.14294 numMergedOcc 0
17 mol 222 unq 3 iso 0 dist 4.85015 6.84149 5.72 8.15345 4.79329 6.84052 numMergedOcc 0
18 mol 222 unq 4 iso 0 dist 8.15345 6.84149 6.84052 5.07975 8.23638 8.14294 numMergedOcc 0
19 mol 222 unq 5 iso 0 dist 8.15345 6.84149 6.84052 4.85015 4.79329 5.72 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 8.31344 13.0354 6.03081 13.1315 4.8835 5.1874 numMergedOcc 0
21 mol 235 unq 1 iso 0 dist 4.36956 5.39025 6.03081 8.43799 5.73785 7.41433 numMergedOcc 0
22 mol 235 unq 2 iso 0 dist 4.36956 4.3433 5.1874 9.53581 5.20556 8.85214 numMergedOcc 0
23 mol 235 unq 3 iso 0 dist 8.43799 5.39025 7.41433 4.36956 5.73785 6.03081 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 7.02131 6.37045 8.1635 6.79765 3.52904 6.22943 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 7.02131 6.37045 8.1635 6.13272 5.93352 9.23612 numMergedOcc 0
26 mol 292 unq 2 iso 0 dist 6.79765 6.37045 6.22943 7.02131 3.52904 8.1635 numMergedOcc 0
27 mol 292 unq 3 iso 0 dist 6.79765 6.37045 6.22943 6.13272 4.99426 9.23612 numMergedOcc 0
28 mol 292 unq 4 iso 0 dist 6.13272 6.37045 9.23612 7.02131 5.93352 8.1635 numMergedOcc 0
29 mol 292 unq 5 iso 0 dist 6.13272 6.37045 9.23612 6.79765 4.99426 6.22943 numMergedOcc 0
