0 mol 44 unq 0 iso 0 dist 7.98624 7.74211 6.14602 11.9678 6.18128 6.30541 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.61209 4.10983 9.39738 10.2973 5.41839 9.9421 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 5.7638 5.21228 9.39738 8.55679 5.41839 9.9421 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.55679 5.21228 9.9421 5.7638 5.41839 9.39738 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 9.04648 15.069 7.88704 16.9031 8.83339 6.55352 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 9.04648 15.069 7.88704 22.755 15.8521 9.05437 numMergedOcc 0
6 mol 83 unq 2 iso 0 dist 9.04648 15.069 7.88704 19.3414 14.6805 9.00625 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 4.90079 5.50714 7.68053 9.53093 5.82417 9.56911 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 5.36955 6.98012 9.71431 14.8164 14.8569 9.50277 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.99121 6.64473 5.87592 6.30982 5.11161 8.37388 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 6.30982 6.64473 8.37388 7.99121 5.11161 5.87592 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 8.94096 5.63272 8.08406 7.64207 4.05522 5.73579 numMergedOcc 0
12 mol 132 unq 1 iso 0 dist 7.64207 5.63272 5.73579 8.94096 4.05522 8.08406 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 8.94464 11.9871 7.04782 10.6505 4.53746 6.93144 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 8.94464 11.9871 7.04782 11.4115 10.1046 9.99964 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 8.71686 4.93374 6.75599 12.2378 12.1075 8.75001 numMergedOcc 0
16 mol 244 unq 0 iso 0 dist 7.00974 12.6177 8.19381 18.6538 11.9396 9.16789 numMergedOcc 0
17 mol 283 unq 0 iso 0 dist 8.28068 5.72409 5.96202 13.2153 10.8201 9.69083 numMergedOcc 0
18 mol 283 unq 1 iso 0 dist 8.28068 5.72409 5.96202 14.5942 7.7635 9.55068 numMergedOcc 0
