0 mol 48 unq 0 iso 0 dist 7.33788 9.74351 4.78728 5.52962 6.11249 9.41827 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.33788 7.36877 5.61785 5.52962 6.11249 4.74786 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 7.36877 7.33788 5.61785 9.32024 7.02387 11.5775 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 7.36877 7.33788 5.61785 5.52962 4.74786 6.11249 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 7.36877 9.74351 6.20957 9.32024 7.02387 13.1835 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 7.36877 9.74351 6.20957 5.52962 4.74786 9.41827 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 8.52681 9.98769 4.78728 10.1477 6.11249 9.41827 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 6.89752 9.21776 6.29252 5.20585 4.53565 9.38938 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 6.89752 6.85843 5.553 5.20585 4.53565 6.15814 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 6.85843 9.21776 4.73799 5.20585 6.15814 9.38938 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 6.85843 6.89752 5.553 5.20585 6.15814 4.53565 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 7.94814 9.40291 4.73799 9.98618 6.15814 9.38938 numMergedOcc 0
12 mol 48 unq 12 iso 0 dist 7.94814 9.55632 3.18526 9.98618 6.15814 7.70284 numMergedOcc 0
13 mol 48 unq 13 iso 0 dist 9.55632 9.40291 7.19576 9.98618 7.70284 9.38938 numMergedOcc 0
14 mol 48 unq 14 iso 0 dist 9.55632 7.94814 3.18526 9.98618 7.70284 6.15814 numMergedOcc 0
15 mol 85 unq 0 iso 0 dist 8.67342 8.60062 2.58673 13.9882 5.61151 6.54289 numMergedOcc 0
16 mol 85 unq 1 iso 0 dist 8.60062 8.67342 2.58673 13.9882 6.54289 5.61151 numMergedOcc 0
17 mol 85 unq 2 iso 0 dist 8.60062 8.67342 2.58673 12.4238 7.52869 9.18895 numMergedOcc 0
18 mol 85 unq 3 iso 0 dist 8.60062 8.67342 2.58673 10.5359 9.18945 9.58605 numMergedOcc 0
19 mol 85 unq 4 iso 0 dist 5.73739 5.16225 2.58673 10.1326 5.61151 6.54289 numMergedOcc 0
20 mol 85 unq 5 iso 0 dist 5.16225 5.73739 2.58673 10.1326 6.54289 5.61151 numMergedOcc 0
21 mol 85 unq 6 iso 0 dist 5.16225 5.73739 2.58673 12.2156 7.52869 9.18895 numMergedOcc 0
22 mol 85 unq 7 iso 0 dist 5.16225 5.73739 2.58673 13.9131 9.18945 9.58605 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 6.38786 9.31435 10.2275 6.60792 8.08798 13.8688 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 9.50113 9.73679 14.6395 11.453 6.21648 19.1859 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 4.93303 9.95859 13.0936 7.98763 9.81165 16.0421 numMergedOcc 0
26 mol 277 unq 0 iso 0 dist 8.90967 6.40861 3.75238 12.0017 9.62597 11.5874 numMergedOcc 0
27 mol 281 unq 0 iso 0 dist 9.06888 6.62682 3.77058 12.6605 9.94612 12.0277 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 7.82157 8.39976 13.001 9.74355 7.1388 17.6324 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 7.82157 8.39976 13.001 9.74355 7.1388 17.6324 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 7.82157 8.39976 13.001 9.74355 7.1388 17.6324 numMergedOcc 0
