0 mol 27 unq 0 iso 0 dist 9.48375 9.40953 17.1356 7.7664 17.2383 7.41235 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.48375 9.57896 16.6725 7.7664 17.2383 9.00377 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 6.85127 9.40953 12.1419 7.7664 13.9399 7.41235 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 6.85127 9.57896 12.5927 7.7664 13.9399 9.00377 numMergedOcc 0
4 mol 27 unq 4 iso 0 dist 8.58169 9.40953 5.68274 7.7664 10.7004 7.41235 numMergedOcc 0
5 mol 27 unq 5 iso 0 dist 8.58169 9.57896 5.5733 7.7664 10.7004 9.00377 numMergedOcc 0
6 mol 36 unq 0 iso 0 dist 4.10339 6.1084 9.13645 5.71189 9.78957 6.02824 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 8.00814 8.2282 11.3486 8.27485 12.5041 4.88863 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 5.75102 5.21993 7.82219 6.48383 8.80254 5.73879 numMergedOcc 0
9 mol 71 unq 1 iso 0 dist 8.80254 5.73879 7.82219 6.48383 5.75102 5.21993 numMergedOcc 0
10 mol 124 unq 0 iso 0 dist 6.31232 9.18988 10.4469 5.88837 10.3665 8.89976 numMergedOcc 0
11 mol 124 unq 1 iso 0 dist 6.79597 8.89976 5.18107 5.88837 7.17224 9.18988 numMergedOcc 0
12 mol 124 unq 2 iso 0 dist 7.17224 9.18988 5.18107 5.88837 6.79597 8.89976 numMergedOcc 0
13 mol 148 unq 0 iso 0 dist 5.86949 6.02506 8.01366 8.87503 6.72591 9.8506 numMergedOcc 0
14 mol 148 unq 1 iso 0 dist 8.60157 9.8506 16.0449 8.87503 15.8488 6.02506 numMergedOcc 0
15 mol 148 unq 2 iso 0 dist 6.72591 9.8506 8.01366 8.87503 5.86949 6.02506 numMergedOcc 0
16 mol 150 unq 0 iso 0 dist 5.84971 6.07854 8.04136 8.95308 6.80192 9.91991 numMergedOcc 0
17 mol 150 unq 1 iso 0 dist 8.59359 9.91991 16.1293 8.95308 15.8889 6.07854 numMergedOcc 0
18 mol 150 unq 2 iso 0 dist 6.80192 9.91991 8.04136 8.95308 5.84971 6.07854 numMergedOcc 0
19 mol 180 unq 0 iso 0 dist 9.46309 9.80157 5.83274 9.96643 10.2795 8.16428 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 7.91967 9.42723 8.69902 11.5075 15.1148 7.70823 numMergedOcc 0
21 mol 198 unq 1 iso 0 dist 7.91967 9.42723 8.69902 13.5398 14.0829 8.16611 numMergedOcc 0
22 mol 198 unq 2 iso 0 dist 7.83611 8.37455 9.62353 9.85954 13.7127 8.17562 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 5.12798 8.02723 4.47554 14.8373 12.6304 8.9694 numMergedOcc 0
24 mol 214 unq 1 iso 0 dist 5.12798 8.02723 4.47554 13.0778 11.686 8.83512 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 9.33299 7.8428 10.9358 5.50617 10.4184 6.73229 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 9.49732 7.8428 6.51653 5.50617 10.9575 6.73229 numMergedOcc 0
