0 mol 25 unq 0 iso 0 dist 8.40051 6.29702 4.79873 13.591 9.48085 12.7147 13.0464 5.59268 8.27137 13.4236 numMergedOcc 0
1 mol 78 unq 0 iso 0 dist 9.10981 9.89481 8.65848 3.89733 7.25801 7.95975 16.9501 13.1649 7.32064 14.2511 numMergedOcc 0
2 mol 78 unq 1 iso 0 dist 9.10981 9.89481 8.65848 3.89733 7.25801 7.95975 13.5159 9.31889 4.62314 10.6907 numMergedOcc 0
3 mol 78 unq 2 iso 0 dist 9.23023 13.8703 6.85523 11.9719 5.77326 8.2592 9.84346 7.17843 7.32064 5.85007 numMergedOcc 0
4 mol 78 unq 3 iso 0 dist 9.23023 13.8703 6.85523 11.9719 5.77326 8.2592 9.46472 4.4651 4.62314 6.35234 numMergedOcc 0
5 mol 78 unq 4 iso 0 dist 9.23023 11.9719 5.77326 13.8703 6.85523 8.2592 9.84346 7.17843 5.85007 7.32064 numMergedOcc 0
6 mol 78 unq 5 iso 0 dist 9.23023 11.9719 5.77326 13.8703 6.85523 8.2592 9.46472 4.4651 6.35234 4.62314 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.53905 3.78964 5.56994 3.61827 9.05166 5.11 7.84249 4.34071 4.77996 9.80187 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.02717 12.6105 9.42082 5.33827 7.69765 11.044 16.5786 11.8122 8.42219 16.5482 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 9.28278 9.05571 5.51197 9.63308 6.69691 5.94312 14.5797 6.43966 6.53559 8.23699 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 9.28278 9.05571 5.51197 9.63308 6.69691 5.94312 9.0455 5.56946 8.09774 11.4776 numMergedOcc 0
11 mol 129 unq 2 iso 0 dist 9.28278 9.05571 5.51197 14.5546 8.86944 9.74141 14.5797 6.43966 6.53559 7.90844 numMergedOcc 0
12 mol 129 unq 3 iso 0 dist 9.28278 9.05571 5.51197 14.5546 8.86944 9.74141 9.0455 5.56946 8.09774 14.427 numMergedOcc 0
13 mol 129 unq 4 iso 0 dist 9.28278 14.5546 8.86944 9.05571 5.51197 9.74141 14.5797 6.43966 7.90844 6.53559 numMergedOcc 0
14 mol 129 unq 5 iso 0 dist 9.28278 14.5546 8.86944 9.63308 6.69691 5.35495 14.5797 6.43966 7.90844 8.23699 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.03995 11.8169 7.2793 14.1849 9.51091 3.47886 16.6123 11.7795 6.52441 8.16639 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 8.03995 11.8169 7.2793 3.85767 7.85184 12.5618 16.6123 11.7795 6.52441 18.1478 numMergedOcc 0
17 mol 197 unq 0 iso 0 dist 8.3337 17.2264 9.10817 5.5875 9.73548 16.8666 14.7463 7.56497 6.0033 14.8201 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.54857 5.49348 5.85442 5.13138 6.95511 3.51848 7.34794 5.41945 4.95855 7.72489 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 9.54857 5.13138 6.95511 5.49348 5.85442 3.51848 7.34794 5.41945 7.72489 4.95855 numMergedOcc 0
20 mol 259 unq 2 iso 0 dist 6.42725 6.09466 6.9899 11.761 8.03219 8.0048 5.30455 5.59901 4.95855 10.7775 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 9.65265 18.3627 9.30212 11.4981 6.4611 13.5848 12.9003 4.37547 7.15079 9.39896 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 9.65265 11.4981 6.4611 18.3627 9.30212 13.5848 13.3657 4.56913 4.97796 8.97249 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 9.20416 8.88312 7.20674 12.3704 8.38121 9.14614 12.7106 8.04474 5.72473 12.7549 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 7.53641 10.0594 7.20674 15.5666 8.38121 9.14614 8.35169 8.04474 5.72473 12.7549 numMergedOcc 0
