0 mol 9 unq 0 iso 0 dist 8.47421 8.55451 5.66192 8.27962 9.29529 13.2602 9.5997 9.57198 14.126 4.45625 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 8.55451 5.66192 11.4878 7.2199 12.6418 9.5997 9.57198 14.126 6.0397 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.47421 5.8245 3.91075 8.27962 9.29529 9.71516 9.5997 9.57198 10.9352 4.45625 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.47421 5.8245 3.91075 11.4878 7.2199 9.81658 9.5997 9.57198 10.9352 6.0397 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 7.45237 8.70192 10.5834 6.42104 8.43814 14.3743 7.401 6.47855 11.3405 10.3659 numMergedOcc 0
5 mol 39 unq 1 iso 0 dist 7.45237 8.70192 10.5834 6.42248 8.16689 14.1214 7.401 6.47855 11.3405 5.7332 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 6.99408 5.94756 4.51883 7.39653 8.13782 5.81001 8.26635 7.21995 10.1089 9.85038 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 6.99408 5.94756 4.51883 7.39653 8.13782 5.81001 13.4503 9.62637 13.3858 13.1805 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 7.12541 8.71468 10.4354 10.8421 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 5.64209 6.50297 13.3982 7.12541 8.71468 10.4354 11.3634 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 8.89374 8.96727 14.6599 12.7331 6.96494 20.5213 5.49591 9.11258 9.01564 13.4366 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 8.89374 8.96727 14.6599 7.05413 7.01363 15.7229 5.49591 9.11258 9.01564 8.88332 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 8.89374 8.01308 9.47022 12.7331 6.96494 16.0898 5.49591 9.11258 7.11065 13.4366 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 8.89374 8.01308 9.47022 7.05413 7.01363 12.8612 5.49591 9.11258 7.11065 8.88332 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 8.68586 9.86334 8.84224 5.35421 8.4517 13.6664 6.21578 9.32552 12.5444 6.90629 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.73814 5.7144 4.81369 12.1324 9.86739 10.4222 13.7032 9.83981 13.8288 9.47219 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 6.73814 5.7144 4.81369 6.95201 8.39249 5.51885 13.7032 9.83981 13.8288 14.0577 numMergedOcc 0
17 mol 114 unq 2 iso 0 dist 6.73814 5.7144 4.81369 5.9968 8.93623 10.4626 13.7032 9.83981 13.8288 10.6837 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 7.76729 6.24825 5.78043 6.34759 7.99631 10.2461 14.0688 7.70313 11.7584 11.4407 numMergedOcc 0
19 mol 115 unq 1 iso 0 dist 7.76729 6.24825 5.78043 10.2377 6.40036 7.65255 14.0688 7.70313 11.7584 5.67953 numMergedOcc 0
20 mol 115 unq 2 iso 0 dist 7.64585 6.39384 5.65471 10.7942 6.40036 8.0168 6.40494 7.52142 10.2171 9.65908 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.94837 9.00918 5.58312 5.9915 6.4218 5.73203 14.2198 6.93279 7.83568 12.2578 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.94837 7.99477 9.61537 5.9915 6.4218 6.57379 14.2198 6.93279 12.0743 12.2578 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 6.93652 8.07097 4.22522 7.57216 6.2135 10.25 7.42649 5.26989 5.29898 8.7258 numMergedOcc 0
24 mol 141 unq 1 iso 0 dist 6.93652 8.07097 4.22522 7.57216 6.2135 10.25 10.6531 7.76442 10.5285 6.67552 numMergedOcc 0
25 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 6.3437 6.51096 13.5963 6.89781 9.0529 9.24038 7.6506 numMergedOcc 0
26 mol 155 unq 1 iso 0 dist 9.14392 8.97626 12.0485 9.99927 8.73171 14.7426 6.89781 9.0529 9.24038 6.00473 numMergedOcc 0
27 mol 155 unq 2 iso 0 dist 7.51198 8.97626 4.48516 8.27726 7.37901 5.36254 5.50031 9.80845 9.16358 5.50045 numMergedOcc 0
28 mol 155 unq 3 iso 0 dist 7.51198 8.97626 4.48516 8.27726 7.37901 5.36254 6.89781 7.55196 9.24038 6.40403 numMergedOcc 0
29 mol 225 unq 0 iso 0 dist 5.50387 8.1945 3.92979 10.7506 8.75834 8.91356 8.32583 9.47117 10.7064 17.6349 numMergedOcc 0
30 mol 225 unq 1 iso 0 dist 5.50387 8.1945 3.92979 7.12954 9.36396 9.59574 8.32583 9.47117 10.7064 5.25065 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.17891 5.23634 4.09934 13.3557 7.95168 11.5426 10.9607 7.57454 8.91971 9.75331 numMergedOcc 0
32 mol 227 unq 1 iso 0 dist 6.95902 6.91318 4.09934 8.8709 7.95168 11.5426 9.72615 7.57454 8.91971 9.75331 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 5.56749 8.49841 9.11572 10.0059 7.43663 7.77911 7.17691 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 9.5707 7.81215 11.8229 12.1076 9.6101 7.20293 10.0059 7.43663 7.77911 4.51304 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 6.29366 5.32183 7.20293 5.08515 7.94068 7.77911 4.51304 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 9.39181 5.64285 6.45373 6.29366 5.32183 7.20293 12.6661 7.22019 12.6164 6.56416 numMergedOcc 0
