0 mol 19 unq 0 iso 0 dist 4.54938 8.4674 7.67038 7.82074 5.03957 10.3915 5.18512 6.92532 10.1882 6.36455 9.74255 7.75618 8.40416 12.3215 13.9675 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 4.54938 7.82074 5.03957 8.4674 7.67038 10.3915 5.18512 6.92532 6.36455 10.1882 9.74255 7.75618 12.3215 8.40416 13.9675 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 9.62257 7.55695 9.96399 10.0962 7.04075 9.90939 10.5084 10.1323 4.82351 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 9.62257 7.55695 10.0962 9.96399 7.04075 9.90939 10.1323 10.5084 4.82351 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 10.121 7.33422 12.3486 14.9249 4.65335 7.54568 10.0796 9.39864 6.85215 numMergedOcc 0
5 mol 85 unq 0 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 10.121 7.33422 14.9249 12.3486 4.65335 7.54568 9.39864 10.0796 6.85215 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 14.9392 9.00544 17.8663 20.2183 11.2312 7.38135 15.4031 17.2419 5.46256 numMergedOcc 0
7 mol 100 unq 0 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 14.9392 9.00544 20.2183 17.8663 11.2312 7.38135 17.2419 15.4031 5.46256 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 12.6602 7.12017 12.6061 18.4011 11.2312 7.38135 15.4031 17.2419 9.38256 numMergedOcc 0
9 mol 100 unq 1 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 12.6602 7.12017 18.4011 12.6061 11.2312 7.38135 17.2419 15.4031 9.38256 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 14.9392 9.00544 17.8663 22.6977 11.2312 7.38135 15.4031 19.8941 5.46256 numMergedOcc 0
11 mol 100 unq 2 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 14.9392 9.00544 22.6977 17.8663 11.2312 7.38135 19.8941 15.4031 5.46256 numMergedOcc 0
12 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 12.6602 7.12017 12.6061 17.8494 11.2312 7.38135 15.4031 19.8941 9.38256 numMergedOcc 0
13 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 12.6602 7.12017 17.8494 12.6061 11.2312 7.38135 19.8941 15.4031 9.38256 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 14.9392 9.00544 20.2183 22.6977 11.2312 7.38135 17.2419 19.8941 5.46256 numMergedOcc 0
15 mol 100 unq 2 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 14.9392 9.00544 22.6977 20.2183 11.2312 7.38135 19.8941 17.2419 5.46256 numMergedOcc 0
16 mol 100 unq 3 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 12.6602 7.12017 18.4011 17.8494 11.2312 7.38135 17.2419 19.8941 9.38256 numMergedOcc 0
17 mol 100 unq 3 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 12.6602 7.12017 17.8494 18.4011 11.2312 7.38135 19.8941 17.2419 9.38256 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 9.32969 9.29384 11.4206 6.92648 14.2045 8.70296 18.0058 12.6227 10.8127 numMergedOcc 0
19 mol 131 unq 0 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.32969 9.29384 6.92648 11.4206 14.2045 8.70296 12.6227 18.0058 10.8127 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 6.85062 8.40312 10.7062 7.12972 6.63273 5.55373 9.32969 9.29384 11.4206 6.92648 5.09131 9.25558 13.44 11.586 11.2516 numMergedOcc 0
21 mol 131 unq 1 iso 1 dist 6.85062 7.12972 6.63273 8.40312 10.7062 5.55373 9.32969 9.29384 6.92648 11.4206 5.09131 9.25558 11.586 13.44 11.2516 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 6.29155 6.80239 7.81217 8.00618 11.965 7.79672 5.74088 6.76699 11.1595 10.5656 4.54648 6.16242 5.87634 10.9061 9.34112 numMergedOcc 0
23 mol 133 unq 0 iso 1 dist 6.29155 8.00618 11.965 6.80239 7.81217 7.79672 5.74088 6.76699 10.5656 11.1595 4.54648 6.16242 10.9061 5.87634 9.34112 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 6.49416 8.94367 8.80819 6.37586 5.00817 5.49782 8.46636 5.53031 13.9396 10.1537 9.87376 7.80532 10.5252 10.7586 8.98004 numMergedOcc 0
25 mol 134 unq 0 iso 1 dist 6.49416 6.37586 5.00817 8.94367 8.80819 5.49782 8.46636 5.53031 10.1537 13.9396 9.87376 7.80532 10.7586 10.5252 8.98004 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 8.87694 5.74635 14.9058 8.90184 7.20574 18.0414 6.85302 11.7429 8.73217 17.7621 14.2425 11.8992 numMergedOcc 0
27 mol 186 unq 0 iso 1 dist 7.54065 8.87694 5.74635 9.70748 13.8792 14.9058 8.90184 7.20574 6.85302 18.0414 11.7429 8.73217 14.2425 17.7621 11.8992 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 7.26832 6.03031 7.38516 7.80463 13.8543 8.18714 5.28092 5.60393 8.44861 11.3521 10.3603 5.44002 12.3113 17.9798 8.46033 numMergedOcc 0
29 mol 205 unq 0 iso 1 dist 7.26832 7.80463 13.8543 6.03031 7.38516 8.18714 5.28092 5.60393 11.3521 8.44861 10.3603 5.44002 17.9798 12.3113 8.46033 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 5.60748 8.55558 10.5803 12.4037 8.81835 7.08526 7.98231 11.6972 6.31909 numMergedOcc 0
31 mol 259 unq 0 iso 1 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 5.60748 8.55558 12.4037 10.5803 8.81835 7.08526 11.6972 7.98231 6.31909 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 5.60748 8.55558 10.5803 14.4498 8.81835 7.08526 7.98231 15.8414 6.31909 numMergedOcc 0
33 mol 259 unq 1 iso 1 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 5.60748 8.55558 14.4498 10.5803 8.81835 7.08526 15.8414 7.98231 6.31909 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 5.60748 8.55558 12.4037 14.4498 8.81835 7.08526 11.6972 15.8414 6.31909 numMergedOcc 0
35 mol 259 unq 1 iso 1 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 5.60748 8.55558 14.4498 12.4037 8.81835 7.08526 15.8414 11.6972 6.31909 numMergedOcc 0
