0 mol 26 unq 0 iso 0 dist 9.80897 12.8257 8.34347 16.1274 8.44506 13.2876 13.0038 10.9837 18.1487 9.5053 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.37225 8.70636 8.34347 13.0741 8.44506 13.2876 13.1817 10.9837 18.1487 9.5053 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 7.7654 9.47656 8.90863 7.76481 8.82176 13.0114 6.65867 5.32257 12.1928 4.65127 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 9.90769 13.4578 9.60462 7.63956 8.729 11.0629 14.0906 5.39346 10.1861 9.77017 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 9.90769 6.69178 7.45389 7.63956 8.729 5.48848 14.0906 5.39346 10.15 9.77017 numMergedOcc 0
5 mol 129 unq 0 iso 0 dist 8.59695 6.13737 5.83384 7.36759 8.03372 6.67948 6.52844 4.55551 6.28565 9.94578 numMergedOcc 0
6 mol 129 unq 1 iso 0 dist 6.42706 5.12351 5.83384 7.79894 8.03372 6.67948 9.51709 4.55551 6.28565 9.94578 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.16358 10.0911 8.94367 11.868 8.20836 9.4027 11.0888 4.57832 6.23142 9.30061 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 9.16358 9.66197 9.86662 11.868 8.20836 5.12325 11.0888 4.57832 9.94764 9.30061 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.44947 10.5243 7.10633 4.80028 6.85441 8.17229 7.59757 5.86489 11.5776 5.91727 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 9.44947 10.2677 8.51516 4.80028 6.85441 5.74707 7.59757 5.86489 7.32294 5.91727 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 7.51951 5.04299 7.26832 6.95682 5.60393 5.28092 12.8231 14.4523 9.53629 9.17946 numMergedOcc 0
12 mol 209 unq 0 iso 0 dist 9.62543 8.42394 7.56373 3.88024 8.41195 4.90038 8.76128 6.552 6.85935 7.97418 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 5.39218 13.3213 9.23153 7.67381 5.45036 6.17628 10.6444 7.11498 6.59716 5.37796 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 5.39218 11.4842 8.24498 7.67381 5.45036 10.4136 10.6444 7.11498 13.1498 5.37796 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.78611 9.775 7.55216 6.3262 5.87815 10.6244 13.7039 6.67321 13.0798 7.95359 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 7.00833 6.75336 8.45658 7.43942 8.60026 6.04016 15.1916 12.8544 10.7876 8.61563 numMergedOcc 0
