0 mol 9 unq 0 iso 0 dist 7.9944 6.55811 4.58685 10.4817 5.38458 9.17615 12.2849 5.93982 6.04312 9.3523 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 7.9944 7.36018 5.83039 10.4817 5.38458 10.7794 12.2849 5.93982 9.05635 9.3523 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 7.9944 8.48677 9.06304 10.4817 5.38458 14.2535 12.2849 5.93982 10.2644 9.3523 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 7.032 8.64915 4.58685 7.51034 5.38458 9.17615 12.7732 5.93982 6.04312 9.3523 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 7.032 8.17347 5.83039 7.51034 5.38458 10.7794 12.7732 5.93982 9.05635 9.3523 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 7.032 7.83133 9.193 7.51034 5.38458 11.6139 12.7732 5.93982 14.1293 9.3523 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.72502 8.60554 6.99746 11.2106 9.40479 4.90592 9.44691 7.05541 9.62033 8.16324 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 5.97304 9.38831 9.36461 12.9284 10.025 10.2653 9.69752 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 6.72502 8.44664 7.6844 11.2106 9.40479 16.1638 8.60554 6.99746 14.1496 4.90592 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 6.72502 8.44664 7.6844 11.2106 9.40479 16.1638 9.44691 7.05541 10.4263 8.16324 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 6.72502 8.44664 7.6844 5.97304 9.38831 11.9865 12.9284 10.025 14.955 9.69752 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 6.72502 8.44664 7.6844 5.97304 9.38831 11.9865 8.60554 6.99746 14.1496 9.36461 numMergedOcc 0
12 mol 24 unq 6 iso 0 dist 6.72502 9.44691 7.05541 11.2106 9.40479 8.16324 8.60554 6.99746 9.62033 4.90592 numMergedOcc 0
13 mol 24 unq 7 iso 0 dist 6.72502 9.44691 7.05541 5.97304 9.38831 14.4545 12.9284 10.025 16.7006 9.69752 numMergedOcc 0
14 mol 24 unq 8 iso 0 dist 6.72502 9.44691 7.05541 5.97304 9.38831 14.4545 8.60554 6.99746 9.62033 9.36461 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.99056 8.03035 8.8562 12.7677 13.3975 12.3703 7.91683 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 3.78311 8.03035 8.8562 9.23858 13.3975 12.3703 7.91683 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 8.56342 9.23858 13.3975 3.78311 8.03035 7.91683 6.52773 6.96805 12.3703 8.8562 numMergedOcc 0
18 mol 119 unq 3 iso 0 dist 6.37542 6.52773 4.86811 3.78311 7.6968 8.8562 9.23858 8.00229 12.3703 7.91683 numMergedOcc 0
19 mol 119 unq 4 iso 0 dist 6.37542 9.23858 8.00229 3.78311 7.6968 7.91683 6.52773 4.86811 12.3703 8.8562 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 15.7796 7.76594 15.3401 14.9021 5.66194 14.4581 5.39061 numMergedOcc 0
21 mol 131 unq 1 iso 0 dist 9.29384 9.25558 11.2516 15.7796 7.76594 18.9021 14.9021 5.66194 15.5632 5.39061 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 10.8441 5.73236 17.8758 9.14266 5.99865 13.803 6.95372 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 10.8441 5.73236 17.012 9.14266 5.99865 12.0695 6.95372 numMergedOcc 0
24 mol 163 unq 0 iso 0 dist 8.38738 9.07943 8.55624 6.94217 7.3546 13.1233 15.035 15.9955 22.6517 9.79069 numMergedOcc 0
25 mol 163 unq 1 iso 0 dist 8.38738 9.07943 8.55624 6.94217 7.3546 13.1233 13.4342 5.87447 13.8454 9.27496 numMergedOcc 0
26 mol 171 unq 0 iso 0 dist 7.71426 8.1344 5.90358 4.44751 7.82546 10.3097 5.93786 6.29877 3.98338 7.32555 numMergedOcc 0
27 mol 171 unq 1 iso 0 dist 5.10618 6.71356 5.90358 9.61561 7.82546 10.3097 8.24693 6.29877 3.98338 7.32555 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 5.4969 9.39352 8.94702 4.24624 7.32419 9.71028 10.7017 11.2348 6.91059 8.05247 numMergedOcc 0
29 mol 175 unq 1 iso 0 dist 6.4318 9.39352 4.06277 4.24624 8.31961 9.71028 10.7017 9.23758 6.91059 8.05247 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 8.12143 7.23293 12.1418 10.2534 5.91678 12.5306 5.45675 numMergedOcc 0
31 mol 186 unq 1 iso 0 dist 7.20574 8.73217 11.8992 12.7155 7.55358 17.9524 19.5202 13.1254 24.2124 7.46987 numMergedOcc 0
32 mol 194 unq 0 iso 0 dist 8.83356 8.29382 12.361 13.0333 5.52678 17.8402 12.645 5.92931 15.8297 6.37788 numMergedOcc 0
33 mol 194 unq 1 iso 0 dist 8.83356 8.29382 12.361 18.6469 9.81666 20.7484 12.645 5.92931 15.8297 8.7028 numMergedOcc 0
34 mol 194 unq 2 iso 0 dist 8.83356 6.72379 7.50057 13.0333 5.52678 12.6186 12.645 5.92931 9.4131 6.37788 numMergedOcc 0
35 mol 194 unq 3 iso 0 dist 8.83356 6.72379 7.50057 18.6469 9.81666 15.8032 12.645 5.92931 9.4131 8.7028 numMergedOcc 0
36 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 5.12181 9.53139 9.36216 12.4388 11.2776 6.08027 9.54499 numMergedOcc 0
