0 mol 98 unq 0 iso 0 dist 9.45186 9.70366 7.63183 15.3566 10.7735 5.88354 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 9.45186 9.70366 7.63183 16.4982 9.38161 7.89665 numMergedOcc 0
2 mol 98 unq 2 iso 0 dist 9.45186 9.70366 7.63183 13.0945 10.5878 5.39354 numMergedOcc 0
3 mol 98 unq 3 iso 0 dist 9.45186 9.70366 7.63183 13.036 13.1711 5.74854 numMergedOcc 0
4 mol 98 unq 4 iso 0 dist 9.45186 9.70366 7.63183 13.8315 7.42291 8.76566 numMergedOcc 0
5 mol 98 unq 5 iso 0 dist 9.45186 9.70366 7.63183 9.00692 8.01486 8.8368 numMergedOcc 0
6 mol 98 unq 6 iso 0 dist 8.6964 7.63357 7.63183 13.5014 10.7735 5.88354 numMergedOcc 0
7 mol 98 unq 7 iso 0 dist 8.6964 7.63357 7.63183 14.6204 9.38161 7.89665 numMergedOcc 0
8 mol 98 unq 8 iso 0 dist 8.6964 7.63357 7.63183 10.0471 10.5878 5.39354 numMergedOcc 0
9 mol 98 unq 9 iso 0 dist 8.6964 7.63357 7.63183 10.465 13.1711 5.74854 numMergedOcc 0
10 mol 98 unq 10 iso 0 dist 8.6964 7.63357 7.63183 11.3239 7.42291 8.76566 numMergedOcc 0
11 mol 98 unq 11 iso 0 dist 8.6964 7.63357 7.63183 6.26542 8.01486 8.8368 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 9.03491 5.15368 8.71286 9.93482 7.21418 5.72642 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 7.20629 8.9683 8.03035 11.5266 4.99056 7.99857 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 7.20629 8.9683 8.03035 8.62648 3.78311 8.56342 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 7.20629 5.50673 7.6968 8.62648 3.78311 6.37542 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 7.61392 9.01144 7.76594 14.0009 7.21005 9.15431 numMergedOcc 0
17 mol 131 unq 1 iso 0 dist 7.61392 9.01144 7.76594 15.4649 11.5688 6.92648 numMergedOcc 0
18 mol 131 unq 2 iso 0 dist 7.61392 9.01144 7.76594 17.0179 15.7796 9.29384 numMergedOcc 0
19 mol 131 unq 3 iso 0 dist 9.13081 15.064 7.76594 13.6771 7.21005 9.15431 numMergedOcc 0
20 mol 131 unq 4 iso 0 dist 9.13081 15.064 7.76594 18.6194 11.5688 6.92648 numMergedOcc 0
21 mol 131 unq 5 iso 0 dist 9.13081 15.064 7.76594 23.7945 15.7796 9.29384 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 7.27943 8.26715 8.60521 10.743 7.78913 8.35555 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 9.40992 9.19636 5.90883 13.8708 6.44255 5.38091 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 7.44879 13.3524 5.90883 12.687 6.44255 5.38091 numMergedOcc 0
25 mol 156 unq 2 iso 0 dist 7.64275 10.5411 4.9941 12.687 5.82636 7.73169 numMergedOcc 0
26 mol 156 unq 3 iso 0 dist 7.64275 13.3524 8.06913 12.687 5.82636 5.38091 numMergedOcc 0
27 mol 163 unq 0 iso 0 dist 8.67619 6.36862 7.3546 10.0272 6.94217 8.38738 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 6.58421 8.71876 7.55358 13.9001 9.27818 9.56197 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 6.58421 8.71876 7.55358 13.7557 13.0197 7.24795 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 6.58421 8.71876 7.55358 10.812 4.37002 8.64409 numMergedOcc 0
31 mol 186 unq 3 iso 0 dist 6.58421 8.71876 7.55358 14.5593 9.72941 7.60202 numMergedOcc 0
32 mol 186 unq 4 iso 0 dist 5.31166 7.56736 7.55358 13.4599 12.7155 7.20574 numMergedOcc 0
33 mol 186 unq 5 iso 0 dist 5.31166 7.56736 7.55358 12.8237 9.97575 6.85302 numMergedOcc 0
34 mol 186 unq 6 iso 0 dist 5.31166 9.89307 7.60991 12.8237 9.97575 9.98215 numMergedOcc 0
35 mol 186 unq 7 iso 0 dist 9.10393 7.56736 8.87818 13.4599 11.2142 7.20574 numMergedOcc 0
36 mol 186 unq 8 iso 0 dist 9.10393 7.56736 8.87818 12.8237 7.92653 6.85302 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 9.27651 11.3699 8.93185 9.89546 6.90702 6.29367 numMergedOcc 0
38 mol 218 unq 1 iso 0 dist 9.27651 11.3699 8.93185 9.66527 10.4526 5.76954 numMergedOcc 0
39 mol 218 unq 2 iso 0 dist 9.27651 11.3699 8.93185 4.851 8.94041 9.20961 numMergedOcc 0
40 mol 218 unq 3 iso 0 dist 9.27651 14.2443 8.22792 16.918 7.85475 8.0751 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 9.62121 11.8352 9.89583 15.8904 10.7508 6.66971 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 9.62121 11.8352 9.89583 11.2146 5.87253 6.4398 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 9.62121 11.8352 9.89583 15.8185 10.7551 7.32982 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 9.28463 8.09178 9.89583 9.38753 14.1055 5.52379 numMergedOcc 0
45 mol 264 unq 0 iso 0 dist 9.54836 10.1582 5.74568 15.2039 6.84156 6.04162 numMergedOcc 0
46 mol 264 unq 1 iso 0 dist 9.54836 10.1582 5.74568 15.562 9.37297 6.14323 numMergedOcc 0
