0 mol 24 unq 0 iso 0 dist 8.13365 8.35576 8.0319 10.7829 9.75144 9.97498 8.10063 6.88453 5.85737 13.8202 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 10.7814 9.83618 10.1053 14.3847 14.9082 8.84944 17.3158 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 10.7814 9.83618 10.1053 10.2091 4.80528 7.21995 13.4284 numMergedOcc 0
3 mol 75 unq 0 iso 0 dist 8.64872 9.2905 9.20448 4.79472 5.15851 8.88127 12.1267 5.56574 8.25597 8.26819 numMergedOcc 0
4 mol 75 unq 1 iso 0 dist 8.64872 9.39059 6.96759 4.79472 5.15851 6.78257 12.1267 5.56574 4.76466 8.26819 numMergedOcc 0
5 mol 75 unq 2 iso 0 dist 8.64872 4.6252 6.97318 4.79472 5.15851 4.7798 12.1267 5.56574 8.67172 8.26819 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.11612 5.73904 7.9258 5.39389 7.76729 10.8105 10.879 9.48465 9.33293 15.6542 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 11.1266 7.92688 6.61857 13.8059 17.2988 8.8353 11.8194 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 12.6562 9.13561 10.8622 14.4446 14.069 9.65031 19.2222 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 12.6562 9.13561 10.8622 10.1793 4.46956 8.51844 13.2468 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 6.27504 5.90931 12.7783 20.3843 18.5654 9.52029 20.3913 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 6.73266 7.03981 9.44947 6.67807 5.90931 12.7783 13.969 18.5654 9.52029 20.3913 numMergedOcc 0
12 mol 224 unq 0 iso 0 dist 9.61379 8.96279 7.49783 4.53973 7.06793 4.76056 13.0995 6.87755 6.23677 8.76325 numMergedOcc 0
13 mol 224 unq 1 iso 0 dist 9.61379 8.96279 7.49783 4.53973 7.06793 4.76056 17.005 12.3271 9.04741 12.4794 numMergedOcc 0
14 mol 224 unq 2 iso 0 dist 9.61379 8.96279 7.49783 4.53973 7.06793 4.76056 13.0235 11.0252 7.31608 8.85101 numMergedOcc 0
15 mol 224 unq 3 iso 0 dist 9.61379 8.96279 7.49783 5.98813 6.67585 10.7068 13.0995 6.87755 6.23677 12.0468 numMergedOcc 0
16 mol 224 unq 4 iso 0 dist 9.61379 8.96279 7.49783 5.98813 6.67585 10.7068 17.005 12.3271 9.04741 17.0348 numMergedOcc 0
17 mol 224 unq 5 iso 0 dist 9.61379 8.96279 7.49783 5.98813 6.67585 10.7068 13.0235 11.0252 7.31608 13.64 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 5.99137 7.15062 7.87233 4.47231 5.34718 4.71339 9.80618 7.77821 4.71683 5.77356 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 8.69345 10.7413 6.11671 13.2072 7.50578 3.83813 15.6543 7.02254 9.86267 9.44826 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.64889 10.6345 4.81916 10.971 9.41725 6.20663 12.5202 7.44724 6.66936 12.4404 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 9.64889 10.6345 4.81916 10.971 9.41725 6.20663 14.8656 5.77904 8.15119 11.7564 numMergedOcc 0
