0 mol 36 unq 0 iso 0 dist 5.85008 8.05598 6.26111 5.71189 9.54644 7.34019 numMergedOcc 0
1 mol 36 unq 1 iso 0 dist 9.54644 7.34019 6.26111 5.71189 5.85008 8.05598 numMergedOcc 0
2 mol 36 unq 2 iso 0 dist 9.54644 8.43828 14.9059 5.71189 5.85008 13.5069 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.89712 8.59022 10.857 5.55889 6.96052 8.54284 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 6.96052 8.54284 10.857 5.55889 7.89712 8.59022 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 6.22911 8.61163 4.43656 6.00278 6.76484 7.80805 numMergedOcc 0
6 mol 53 unq 1 iso 0 dist 6.76484 7.80805 4.43656 6.00278 6.22911 8.61163 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 9.32172 7.80757 9.0996 5.45378 8.93486 11.3959 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 9.32172 5.5849 6.50212 5.45378 8.93486 8.75605 numMergedOcc 0
9 mol 78 unq 2 iso 0 dist 8.93486 8.75605 6.50212 5.45378 9.32172 5.5849 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 5.23177 7.47827 5.55005 9.6367 9.04371 14.2828 numMergedOcc 0
11 mol 91 unq 1 iso 0 dist 6.77052 7.47827 9.57561 9.6367 6.50917 14.2828 numMergedOcc 0
12 mol 91 unq 2 iso 0 dist 9.23907 7.28711 5.27581 7.06119 9.19143 11.1404 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 7.3098 5.09688 5.06206 5.35519 9.90038 9.26343 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.90038 9.91446 11.7157 5.35519 7.3098 13.2537 numMergedOcc 0
15 mol 100 unq 2 iso 0 dist 9.90038 9.26343 5.06206 5.35519 7.3098 5.09688 numMergedOcc 0
16 mol 125 unq 0 iso 0 dist 9.06392 8.38646 16.5045 4.79681 8.40065 12.0856 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.46429 5.63906 7.37734 6.89664 8.3417 10.5412 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 7.21836 6.60651 12.7415 9.58951 9.29665 15.4287 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 9.24924 7.92491 7.62155 4.80485 9.72248 11.1148 numMergedOcc 0
