0 mol 13 unq 0 iso 0 dist 5.83624 6.48985 4.43066 10.3874 7.98465 4.14738 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.84751 6.26406 9.22183 4.25444 6.79475 4.82659 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.93454 3.93956 9.81143 14.28 7.79336 14.4774 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 9.06898 3.93956 9.78839 14.28 7.08559 14.4774 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 9.06898 3.93956 9.78839 10.7254 8.63635 8.19638 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 9.55954 9.72874 7.55644 6.04996 9.86405 6.1164 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 6.13521 12.0992 9.43496 4.84869 9.39807 15.7577 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.44426 9.91645 8.3505 11.4327 6.61111 12.8333 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 8.65429 12.341 5.33961 13.0095 4.44979 4.45424 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 8.65429 12.5957 9.29816 13.0095 4.44979 9.31771 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 8.65429 4.74936 5.08983 13.0095 4.44979 9.47873 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.21978 11.9272 8.42219 5.39389 8.0168 10.3316 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 9.8564 17.8575 8.78303 8.67365 7.43401 11.5532 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 9.13631 11.6719 9.13697 6.15672 5.52149 5.90631 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 5.24228 10.2381 5.56446 4.53891 4.26972 7.03121 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 5.24228 10.2381 5.56446 10.8638 7.54341 5.65619 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 9.67667 9.31539 6.0033 10.4381 9.27218 4.40086 numMergedOcc 0
17 mol 273 unq 0 iso 0 dist 7.05843 12.78 8.89714 9.47751 9.06937 14.6301 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 8.106 5.70683 8.4275 5.78328 9.60574 6.40657 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 7.51385 7.78314 9.14467 4.80828 8.9466 4.59215 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 7.51385 7.78314 9.14467 4.80828 8.9466 4.59215 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 7.51385 7.78314 9.14467 4.80828 8.9466 4.59215 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.65996 11.7004 7.78796 6.33111 6.1905 7.69175 numMergedOcc 0
