0 mol 18 unq 0 iso 0 dist 6.41856 8.51213 10.1903 5.03976 5.01478 7.04695 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.51213 6.41856 10.1903 5.03976 7.04695 5.01478 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.92438 7.66055 5.79773 8.42365 6.35371 8.48255 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 7.66055 9.92438 5.79773 8.42365 8.48255 6.35371 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 7.2461 9.26333 4.86119 9.58164 10.9266 7.85178 numMergedOcc 0
5 mol 110 unq 0 iso 1 dist 9.26333 7.2461 4.86119 9.58164 7.85178 10.9266 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 8.75736 6.32178 7.93571 6.77398 5.45435 8.47569 numMergedOcc 0
7 mol 134 unq 0 iso 1 dist 6.32178 8.75736 7.93571 6.77398 8.47569 5.45435 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 8.75736 6.32178 7.93571 5.68207 10.302 5.99395 numMergedOcc 0
9 mol 134 unq 1 iso 1 dist 6.32178 8.75736 7.93571 5.68207 5.99395 10.302 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 6.76166 7.2977 7.93571 6.33375 5.9915 10.7186 numMergedOcc 0
11 mol 134 unq 2 iso 1 dist 7.2977 6.76166 7.93571 6.33375 10.7186 5.9915 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 6.76166 7.2977 7.93571 8.06229 5.45435 8.47569 numMergedOcc 0
13 mol 134 unq 3 iso 1 dist 7.2977 6.76166 7.93571 8.06229 8.47569 5.45435 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 8.53451 7.24965 6.28062 6.66451 13.71 9.18212 numMergedOcc 0
15 mol 146 unq 0 iso 1 dist 7.24965 8.53451 6.28062 6.66451 9.18212 13.71 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 7.4653 7.95564 7.63992 7.6489 5.08802 8.54445 numMergedOcc 0
17 mol 147 unq 0 iso 1 dist 7.95564 7.4653 7.63992 7.6489 8.54445 5.08802 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.37459 9.0847 5.42328 9.65224 9.73393 12.8308 numMergedOcc 0
19 mol 152 unq 0 iso 1 dist 9.0847 9.37459 5.42328 9.65224 12.8308 9.73393 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 9.37459 6.00061 5.54906 9.65224 9.73393 6.56944 numMergedOcc 0
21 mol 152 unq 1 iso 1 dist 6.00061 9.37459 5.54906 9.65224 6.56944 9.73393 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 9.37459 8.33302 10.9968 9.65224 9.73393 8.08549 numMergedOcc 0
23 mol 152 unq 2 iso 1 dist 8.33302 9.37459 10.9968 9.65224 8.08549 9.73393 numMergedOcc 0
24 mol 152 unq 1 iso 0 dist 9.0847 6.00061 6.4896 9.65224 12.8308 6.56944 numMergedOcc 0
25 mol 152 unq 1 iso 1 dist 6.00061 9.0847 6.4896 9.65224 6.56944 12.8308 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 9.0847 8.33302 10.2431 9.65224 12.8308 8.08549 numMergedOcc 0
27 mol 152 unq 2 iso 1 dist 8.33302 9.0847 10.2431 9.65224 8.08549 12.8308 numMergedOcc 0
28 mol 152 unq 2 iso 0 dist 6.00061 8.33302 5.68553 9.65224 6.56944 8.08549 numMergedOcc 0
29 mol 152 unq 2 iso 1 dist 8.33302 6.00061 5.68553 9.65224 8.08549 6.56944 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.50454 7.15963 11.9017 7.82604 8.93318 8.25067 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 7.15963 9.50454 11.9017 7.82604 8.25067 8.93318 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.50454 7.15963 11.9017 8.22583 9.60512 14.8479 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 7.15963 9.50454 11.9017 8.22583 14.8479 9.60512 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 4.91961 7.14333 10.2693 6.553 5.56749 8.0608 numMergedOcc 0
35 mol 234 unq 0 iso 1 dist 7.14333 4.91961 10.2693 6.553 8.0608 5.56749 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 4.91961 7.14333 10.2693 6.5097 7.50943 9.38219 numMergedOcc 0
37 mol 234 unq 1 iso 1 dist 7.14333 4.91961 10.2693 6.5097 9.38219 7.50943 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 8.39522 5.99187 14.0328 6.59305 6.20606 10.4664 numMergedOcc 0
39 mol 238 unq 0 iso 1 dist 5.99187 8.39522 14.0328 6.59305 10.4664 6.20606 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 8.39522 9.93378 15.8898 6.59305 6.20606 13.3539 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 9.93378 8.39522 15.8898 6.59305 13.3539 6.20606 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 5.99187 9.93378 6.85126 6.59305 10.4664 13.3539 numMergedOcc 0
43 mol 238 unq 1 iso 1 dist 9.93378 5.99187 6.85126 6.59305 13.3539 10.4664 numMergedOcc 0
44 mol 265 unq 0 iso 0 dist 8.59825 7.83102 9.87519 5.88787 5.51535 4.65134 numMergedOcc 0
45 mol 265 unq 0 iso 1 dist 7.83102 8.59825 9.87519 5.88787 4.65134 5.51535 numMergedOcc 0
