0 mol 25 unq 0 iso 0 dist 8.94828 15.6642 7.17969 12.2829 5.59268 8.88413 12.0615 6.08585 7.55264 10.7087 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 10.7324 6.16737 9.22002 16.6215 13.5488 9.25641 12.7481 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 17.675 9.21014 6.58793 15.5866 8.09967 7.54568 3.88757 numMergedOcc 0
3 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 12.6644 4.36935 8.89481 17.7779 10.1816 8.8822 11.2266 numMergedOcc 0
4 mol 113 unq 1 iso 0 dist 9.70016 13.2553 5.86073 12.6644 4.36935 8.89481 15.4081 8.42718 9.66219 9.01097 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 15.5526 11.3469 8.30654 9.01311 6.48978 7.78652 11.6678 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 7.73769 7.36837 5.99315 15.5526 11.3469 8.30654 11.1518 5.20762 8.91301 11.347 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 10.1878 5.87892 5.96555 6.32542 6.09749 6.03688 3.99238 numMergedOcc 0
8 mol 231 unq 0 iso 0 dist 6.02527 7.6832 8.40182 12.2694 8.55683 8.01942 10.2835 6.37275 6.54852 3.83595 numMergedOcc 0
9 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 12.0485 9.60401 9.29752 11.059 4.9377 9.40808 6.36084 numMergedOcc 0
10 mol 235 unq 0 iso 0 dist 6.45574 6.70342 5.4638 6.91126 6.84447 9.11256 4.46919 7.60081 9.55668 3.93066 numMergedOcc 0
11 mol 235 unq 1 iso 0 dist 6.45574 6.70342 5.4638 9.48967 7.38431 7.08539 4.46919 7.60081 9.55668 13.0408 numMergedOcc 0
12 mol 235 unq 2 iso 0 dist 8.14407 6.01036 5.4638 11.4657 6.84447 9.11256 9.62712 7.60081 9.55668 3.93066 numMergedOcc 0
13 mol 235 unq 3 iso 0 dist 8.14407 6.01036 5.4638 6.43002 7.38431 7.08539 9.62712 7.60081 9.55668 13.0408 numMergedOcc 0
14 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 9.35597 9.07501 6.37672 9.49843 10.7772 5.48118 4.20164 numMergedOcc 0
15 mol 249 unq 1 iso 0 dist 7.79723 4.24754 7.57994 12.3774 9.53929 8.94023 9.49843 10.7772 5.48118 5.93404 numMergedOcc 0
16 mol 249 unq 2 iso 0 dist 8.14526 4.24754 6.18582 9.35597 4.24014 6.37672 9.49843 7.04666 5.48118 4.20164 numMergedOcc 0
17 mol 249 unq 3 iso 0 dist 8.14526 4.24754 6.18582 12.3774 5.36989 8.94023 9.49843 7.04666 5.48118 5.93404 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 7.37999 11.0659 6.24356 10.875 3.93713 8.19504 13.4374 7.52936 5.93616 7.28197 numMergedOcc 0
19 mol 264 unq 1 iso 0 dist 7.36703 5.91731 6.24356 11.0689 3.93713 8.19504 10.6141 7.52936 5.93616 7.28197 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 11.0807 5.9882 9.71801 6.74022 5.29529 8.52587 4.36131 numMergedOcc 0
