0 mol 68 unq 0 iso 0 dist 9.74289 3.95228 7.51075 6.82511 10.6721 5.57551 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.36475 5.94401 6.4551 5.61831 3.69293 6.46582 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.364 4.93451 5.9179 9.98861 4.79453 6.10053 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 7.37255 5.41685 5.9179 5.52904 4.79453 6.10053 numMergedOcc 0
4 mol 101 unq 0 iso 0 dist 7.42893 4.58154 5.22543 8.8847 6.2696 6.67863 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 9.41521 9.0362 7.04864 7.64841 3.35803 8.03124 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.06272 4.02665 6.38163 5.5917 10.3933 7.04904 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 9.06272 4.02665 6.38163 5.24806 9.27274 5.06053 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 19.0525 11.323 8.52036 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 9.84636 15.867 7.30954 12.4834 5.02061 8.51811 numMergedOcc 0
10 mol 176 unq 1 iso 0 dist 9.84636 15.867 7.30954 13.4838 6.40668 7.26558 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 7.24785 16.5686 9.88732 11.4264 4.38407 7.58661 numMergedOcc 0
12 mol 180 unq 1 iso 0 dist 7.24785 16.5686 9.88732 17.0604 9.89998 6.53993 numMergedOcc 0
13 mol 180 unq 2 iso 0 dist 7.24785 11.9699 5.77949 11.4264 4.38407 5.81023 numMergedOcc 0
14 mol 180 unq 3 iso 0 dist 7.24785 11.9699 5.77949 17.0604 9.89998 8.4285 numMergedOcc 0
15 mol 180 unq 4 iso 0 dist 7.24785 14.8912 8.68403 11.4264 4.38407 7.80553 numMergedOcc 0
16 mol 180 unq 5 iso 0 dist 7.24785 14.8912 8.68403 17.0604 9.89998 8.39019 numMergedOcc 0
17 mol 180 unq 6 iso 0 dist 7.53287 15.4961 9.88732 11.6845 4.38407 7.58661 numMergedOcc 0
18 mol 180 unq 7 iso 0 dist 7.53287 15.4961 9.88732 16.7688 9.89998 6.53993 numMergedOcc 0
19 mol 180 unq 8 iso 0 dist 7.53287 10.2233 5.77949 11.6845 4.38407 5.81023 numMergedOcc 0
20 mol 180 unq 9 iso 0 dist 7.53287 10.2233 5.77949 16.7688 9.89998 8.4285 numMergedOcc 0
21 mol 180 unq 10 iso 0 dist 7.53287 12.1751 8.68403 11.6845 4.38407 7.80553 numMergedOcc 0
22 mol 180 unq 11 iso 0 dist 7.53287 12.1751 8.68403 16.7688 9.89998 8.39019 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 9.29791 8.04287 6.25429 16.1687 12.1426 8.3151 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 4.71754 6.24332 7.75084 7.39043 3.57917 7.45831 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 5.07968 6.85536 7.16386 8.73456 3.7812 8.60252 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 9.73858 5.61461 6.44212 10.4743 4.61469 5.17335 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 6.44188 9.11516 9.83721 9.12546 7.41143 9.82105 numMergedOcc 0
28 mol 257 unq 1 iso 0 dist 5.13633 12.611 9.83721 8.71617 7.41143 9.82105 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 7.34927 7.75371 5.11998 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 6.86014 11.7966 9.29635 10.4568 11.3546 5.79925 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 5.97073 7.00586 9.29635 7.54315 7.75371 5.11998 numMergedOcc 0
32 mol 277 unq 3 iso 0 dist 5.97073 7.00586 9.29635 9.71134 11.3546 5.79925 numMergedOcc 0
33 mol 277 unq 4 iso 0 dist 6.49176 7.86614 9.29635 10.0835 7.75371 5.11998 numMergedOcc 0
34 mol 277 unq 5 iso 0 dist 6.49176 7.86614 9.29635 12.6635 11.3546 5.79925 numMergedOcc 0
