0 mol 45 unq 0 iso 0 dist 9.73896 7.06216 7.06308 11.1961 9.89212 9.44125 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 6.96797 7.06216 6.34173 11.1961 5.84319 9.44125 numMergedOcc 0
2 mol 75 unq 0 iso 0 dist 8.70094 8.67697 6.33365 10.8911 7.30118 7.30467 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.36475 8.76407 9.49449 5.61831 3.69293 8.90522 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 8.71603 11.6458 9.2603 5.43098 4.47193 9.08952 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.364 6.94038 8.39016 9.98861 4.79453 6.18681 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 8.364 6.94038 8.39016 13.446 7.5298 9.33288 numMergedOcc 0
7 mol 90 unq 2 iso 0 dist 7.37255 7.88117 8.39016 5.52904 4.79453 6.18681 numMergedOcc 0
8 mol 90 unq 3 iso 0 dist 7.37255 7.88117 8.39016 10.4432 7.5298 9.33288 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 6.97244 11.7596 7.20326 19.2617 13.36 9.86985 numMergedOcc 0
10 mol 176 unq 0 iso 0 dist 9.84636 14.8775 8.61331 13.4838 6.40668 9.67312 numMergedOcc 0
11 mol 197 unq 0 iso 0 dist 9.00273 12.8534 8.99696 18.9478 11.9685 9.77656 numMergedOcc 0
12 mol 197 unq 1 iso 0 dist 9.00273 12.8534 8.99696 20.8357 16.9912 9.6071 numMergedOcc 0
13 mol 197 unq 2 iso 0 dist 7.19387 15.758 8.99696 18.6626 11.9685 9.77656 numMergedOcc 0
14 mol 197 unq 3 iso 0 dist 7.19387 15.758 8.99696 24.0446 16.9912 9.6071 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 9.65951 10.8926 5.90931 11.3197 6.49075 9.58537 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 9.14829 5.63477 5.90931 12.5386 6.49075 9.58537 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.24466 4.91881 8.45368 10.1053 9.90805 7.77553 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 5.07968 6.32132 7.61951 9.54857 4.86965 9.43419 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 8.58958 6.99882 6.25105 10.4761 13.8525 7.91374 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 9.70004 7.22134 6.25105 12.5639 13.8525 7.91374 numMergedOcc 0
21 mol 234 unq 2 iso 0 dist 7.17987 5.04225 9.5707 10.4761 12.7879 5.69634 numMergedOcc 0
22 mol 234 unq 3 iso 0 dist 7.17987 6.99882 7.85175 10.4761 12.7879 7.91374 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 6.86014 6.60083 9.41725 7.34927 7.75371 9.62597 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 5.97073 10.5543 9.41725 7.54315 7.75371 9.62597 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 6.49176 14.6973 9.41725 10.0835 7.75371 9.62597 numMergedOcc 0
