0 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 5.7531 7.12263 7.27018 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.3915 8.53529 5.65816 8.79272 7.12263 7.27018 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.78006 9.62394 7.28672 11.0722 5.55437 8.076 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.72502 8.60554 6.99746 11.2106 9.40479 4.90592 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.72502 8.60554 6.99746 5.97304 9.38831 9.36461 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.72502 9.44691 7.05541 11.2106 9.40479 8.16324 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 7.23437 7.39754 8.29345 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.99056 8.03035 8.8562 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 3.78311 8.03035 8.8562 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 8.56342 9.23858 13.3975 3.78311 8.03035 7.91683 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 6.37542 6.52773 4.86811 3.78311 7.6968 8.8562 numMergedOcc 0
11 mol 119 unq 4 iso 0 dist 6.37542 9.23858 8.00229 3.78311 7.6968 7.91683 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 8.5043 9.69121 4.12188 3.89889 8.23605 7.8639 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 4.44751 7.82546 7.32555 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 5.10618 8.24693 6.29877 9.61561 7.82546 7.32555 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 5.4969 9.39352 8.94702 4.24624 7.32419 9.71028 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 6.4318 9.39352 4.06277 4.24624 8.31961 9.71028 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 6.66155 5.52678 6.37788 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 5.4499 9.81666 8.7028 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 6.50471 9.60163 6.12402 9.59927 7.31113 6.11495 numMergedOcc 0
20 mol 237 unq 1 iso 0 dist 6.50471 9.60163 6.12402 5.12181 9.53139 9.36216 numMergedOcc 0
