0 mol 5 unq 0 iso 0 dist 7.89217 7.19651 6.99733 6.01866 8.64744 11.5915 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 6.99733 7.19651 7.89217 11.5915 8.64744 6.01866 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 9.38747 10.5266 8.99724 16.276 8.94643 15.0049 numMergedOcc 0
3 mol 28 unq 0 iso 1 dist 8.99724 10.5266 9.38747 15.0049 8.94643 16.276 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.13608 13.7123 9.46895 7.23274 5.42426 6.59787 numMergedOcc 0
5 mol 32 unq 0 iso 1 dist 9.46895 13.7123 7.13608 6.59787 5.42426 7.23274 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 5.45684 5.8441 7.76644 4.80256 8.6701 5.13486 numMergedOcc 0
7 mol 64 unq 0 iso 1 dist 7.76644 5.8441 5.45684 5.13486 8.6701 4.80256 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.7939 12.5626 8.44695 8.50831 7.9575 11.1595 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 8.44695 12.5626 6.7939 11.1595 7.9575 8.50831 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.7939 12.3241 5.68894 8.50831 7.9575 10.3098 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 5.68894 12.3241 6.7939 10.3098 7.9575 8.50831 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 6.85356 12.3241 7.32265 8.50831 5.88827 10.3098 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 7.32265 12.3241 6.85356 10.3098 5.88827 8.50831 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 6.85356 12.3241 7.32265 14.8359 9.66175 6.35914 numMergedOcc 0
15 mol 73 unq 3 iso 1 dist 7.32265 12.3241 6.85356 6.35914 9.66175 14.8359 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.44695 9.3197 5.68894 11.1595 7.9575 10.3098 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 5.68894 9.3197 8.44695 10.3098 7.9575 11.1595 numMergedOcc 0
18 mol 101 unq 0 iso 0 dist 9.60223 6.21457 7.11476 6.741 8.2549 4.80201 numMergedOcc 0
19 mol 101 unq 0 iso 1 dist 7.11476 6.21457 9.60223 4.80201 8.2549 6.741 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 8.32987 10.6362 8.44321 4.83267 9.19939 7.13056 numMergedOcc 0
21 mol 173 unq 0 iso 1 dist 8.44321 10.6362 8.32987 7.13056 9.19939 4.83267 numMergedOcc 0
22 mol 193 unq 0 iso 0 dist 7.71716 13.1729 8.71993 3.72752 9.50113 16.1667 numMergedOcc 0
23 mol 193 unq 0 iso 1 dist 8.71993 13.1729 7.71716 16.1667 9.50113 3.72752 numMergedOcc 0
24 mol 193 unq 1 iso 0 dist 7.71716 13.1729 8.71993 11.2707 9.73679 4.40965 numMergedOcc 0
25 mol 193 unq 1 iso 1 dist 8.71993 13.1729 7.71716 4.40965 9.73679 11.2707 numMergedOcc 0
26 mol 205 unq 0 iso 0 dist 6.02053 4.4482 7.41663 6.20494 4.93303 5.10421 numMergedOcc 0
27 mol 205 unq 0 iso 1 dist 7.41663 4.4482 6.02053 5.10421 4.93303 6.20494 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 6.02053 4.4482 7.41663 8.39697 9.95859 12.776 numMergedOcc 0
29 mol 205 unq 1 iso 1 dist 7.41663 4.4482 6.02053 12.776 9.95859 8.39697 numMergedOcc 0
30 mol 226 unq 0 iso 0 dist 8.24741 8.0668 5.07958 10.4 9.84378 5.92594 numMergedOcc 0
31 mol 226 unq 0 iso 1 dist 5.07958 8.0668 8.24741 5.92594 9.84378 10.4 numMergedOcc 0
32 mol 226 unq 1 iso 0 dist 8.24741 12.401 6.19519 10.4 9.84378 15.5677 numMergedOcc 0
33 mol 226 unq 1 iso 1 dist 6.19519 12.401 8.24741 15.5677 9.84378 10.4 numMergedOcc 0
34 mol 226 unq 1 iso 0 dist 5.07958 9.9701 6.19519 5.92594 9.84378 15.5677 numMergedOcc 0
35 mol 226 unq 1 iso 1 dist 6.19519 9.9701 5.07958 15.5677 9.84378 5.92594 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 9.38192 10.4134 6.99444 3.67073 7.14871 9.24385 numMergedOcc 0
37 mol 261 unq 0 iso 1 dist 6.99444 10.4134 9.38192 9.24385 7.14871 3.67073 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 8.76302 11.9584 9.11322 7.97612 8.82003 5.60035 numMergedOcc 0
39 mol 274 unq 0 iso 1 dist 9.11322 11.9584 8.76302 5.60035 8.82003 7.97612 numMergedOcc 0
