0 mol 10 unq 0 iso 0 dist 9.29504 15.356 7.93277 16.5777 12.2644 7.14537 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 5.36278 5.3571 9.78134 8.26334 11.1943 5.09702 numMergedOcc 0
2 mol 29 unq 1 iso 0 dist 7.50258 12.1835 9.78134 15.6004 11.1943 5.09702 numMergedOcc 0
3 mol 66 unq 0 iso 0 dist 8.68658 5.64923 8.65033 7.3084 3.7783 9.6145 numMergedOcc 0
4 mol 66 unq 1 iso 0 dist 8.68658 4.23816 7.8807 7.3084 3.7783 8.32859 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.7142 13.0959 9.73179 10.1328 5.34337 9.59729 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.61089 7.19348 8.26763 10.4651 4.0291 8.64934 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.61089 9.62824 6.30814 10.4651 4.0291 8.7515 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 8.61089 9.96442 7.318 13.9889 5.71097 8.51259 numMergedOcc 0
9 mol 79 unq 3 iso 0 dist 8.64686 11.5374 8.26763 12.0233 4.0291 8.64934 numMergedOcc 0
10 mol 79 unq 4 iso 0 dist 8.64686 5.21981 6.30814 12.0233 4.0291 8.7515 numMergedOcc 0
11 mol 79 unq 5 iso 0 dist 8.64686 8.12985 7.318 9.90428 5.71097 8.51259 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.57394 4.41928 5.58681 9.9464 4.21899 8.16401 numMergedOcc 0
13 mol 105 unq 0 iso 0 dist 6.11833 11.7553 9.15226 9.9108 4.59356 9.17843 numMergedOcc 0
14 mol 105 unq 1 iso 0 dist 7.12201 8.79469 9.15226 10.6823 4.59356 9.17843 numMergedOcc 0
15 mol 157 unq 0 iso 0 dist 6.8976 5.332 8.9078 10.9016 7.68025 8.40821 numMergedOcc 0
16 mol 158 unq 0 iso 0 dist 9.96635 8.17573 9.1854 9.53944 5.47558 9.10671 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 8.10386 11.6479 9.66676 8.82169 5.03109 8.75024 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 7.2833 4.79025 9.20541 12.693 14.0091 8.22795 numMergedOcc 0
19 mol 195 unq 1 iso 0 dist 7.2833 6.01032 6.65077 10.6324 6.04748 6.396 numMergedOcc 0
20 mol 195 unq 2 iso 0 dist 5.61326 7.83764 8.84149 7.75518 4.3166 6.396 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 9.87574 8.69902 9.40433 7.7619 4.58443 9.91727 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 6.43519 6.31671 7.53734 10.2097 10.1222 5.03818 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 6.43519 6.31671 7.53734 5.63283 10.4922 6.40171 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 6.52136 6.86345 8.43994 11.8272 7.9981 9.95026 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 8.63249 15.0178 8.75172 11.9747 4.58625 8.93212 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 7.74348 7.69003 8.75172 9.14031 4.58625 8.93212 numMergedOcc 0
27 mol 243 unq 0 iso 0 dist 4.64178 6.26525 8.89434 13.0544 13.1212 8.30024 numMergedOcc 0
28 mol 243 unq 1 iso 0 dist 9.16988 16.1398 8.89434 21.546 13.1212 8.30024 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 6.66936 5.38166 6.42951 11.2458 13.1828 7.16209 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 6.66936 5.38166 6.42951 9.4543 10.6994 4.62936 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 8.15119 6.65084 6.42951 9.91103 13.1828 7.16209 numMergedOcc 0
32 mol 277 unq 3 iso 0 dist 8.15119 6.65084 6.42951 7.0603 10.6994 4.62936 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 5.83342 6.03488 8.67283 9.24101 5.90311 7.89938 numMergedOcc 0
