0 mol 8 unq 0 iso 0 dist 4.92734 7.0822 8.33604 7.77271 4.85329 6.26865 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.70735 9.5538 7.12903 13.8949 5.55659 8.96967 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 9.45639 8.83903 7.45237 13.0804 6.42104 8.43814 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 9.45639 8.83903 7.45237 14.6231 6.42248 8.16689 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 5.00126 5.92759 7.45237 7.54441 6.42104 8.43814 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 5.00126 5.92759 7.45237 9.84326 6.42248 8.16689 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 9.17045 10.9036 6.99408 7.62709 7.39653 8.13782 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 6.32012 5.19805 6.99408 10.7365 7.39653 8.13782 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 9.37094 13.9612 7.04352 20.5206 11.1718 9.70189 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 6.68311 13.1473 6.77912 14.0266 9.0131 9.19459 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 6.7212 5.00053 7.321 11.9031 7.11552 9.19459 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 6.7212 5.00053 7.321 11.486 7.17489 8.59747 numMergedOcc 0
12 mol 94 unq 0 iso 0 dist 9.35727 5.96441 8.3586 10.0122 10.0455 7.38914 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 7.23973 5.27409 7.12609 10.1301 5.31865 7.36816 numMergedOcc 0
14 mol 114 unq 1 iso 0 dist 9.62866 11.5609 6.73814 14.7904 12.1324 9.86739 numMergedOcc 0
15 mol 114 unq 2 iso 0 dist 9.62866 11.5609 6.73814 7.81181 6.95201 8.39249 numMergedOcc 0
16 mol 114 unq 3 iso 0 dist 9.62866 11.5609 6.73814 15.2785 5.9968 8.93623 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 8.97043 11.6637 7.64585 15.3564 10.7942 6.40036 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.54987 6.63186 7.77454 10.6753 10.7186 6.4218 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 9.68229 5.35291 6.95323 6.29125 6.69673 5.63811 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 9.68229 5.35291 6.95323 12.2218 5.58533 7.49546 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 7.34465 11.9359 6.93652 13.9485 7.57216 6.2135 numMergedOcc 0
22 mol 155 unq 0 iso 0 dist 5.68636 6.79302 7.36102 10.6429 6.34186 7.37901 numMergedOcc 0
23 mol 156 unq 0 iso 0 dist 9.19499 11.9162 9.36805 9.40225 7.29758 6.90155 numMergedOcc 0
24 mol 156 unq 1 iso 0 dist 7.98018 4.71629 7.55203 4.94012 4.53931 6.90155 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 8.2088 7.85937 7.13323 12.4492 6.8949 8.57853 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 8.2088 7.85937 7.13323 12.5553 6.60235 6.75035 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.73411 9.9234 6.87664 17.4905 9.36098 8.89778 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 9.73411 9.9234 6.87664 14.0429 5.29877 9.47554 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 7.07564 4.92261 6.87664 9.97425 9.36098 8.89778 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 7.07564 4.92261 6.87664 10.7344 5.29877 9.47554 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 15.267 13.3557 7.95168 numMergedOcc 0
32 mol 232 unq 0 iso 0 dist 8.89211 6.12197 7.07392 14.3123 6.66754 9.86861 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 7.61478 5.92575 8.96531 6.89542 4.65297 6.65088 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 5.67917 10.761 9.90142 18.5321 15.7973 8.70193 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 8.96639 10.761 5.9216 18.5321 10.438 8.70193 numMergedOcc 0
36 mol 238 unq 3 iso 0 dist 4.87108 5.61491 7.49471 11.1167 12.1252 6.17025 numMergedOcc 0
37 mol 238 unq 4 iso 0 dist 7.64276 13.3748 7.02475 11.1167 8.82861 6.65088 numMergedOcc 0
38 mol 238 unq 5 iso 0 dist 7.64276 11.6924 7.67322 11.1167 8.82861 6.5772 numMergedOcc 0
39 mol 238 unq 6 iso 0 dist 7.64276 5.61491 7.19008 11.1167 8.82861 6.17025 numMergedOcc 0
40 mol 238 unq 7 iso 0 dist 6.54455 6.74728 7.49471 12.709 12.1252 6.17025 numMergedOcc 0
41 mol 258 unq 0 iso 0 dist 8.40766 5.70545 6.49982 9.11168 5.95565 7.16259 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 6.94113 8.36147 7.50578 13.9853 11.5772 8.76313 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 6.94113 8.36147 7.50578 12.5807 7.44916 7.4363 numMergedOcc 0
