0 mol 24 unq 0 iso 0 dist 5.47982 7.43716 9.38831 11.6836 9.41655 15.0537 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.47982 7.43716 9.38831 8.02322 6.803 12.8421 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 4.87192 6.79243 9.40479 7.19357 9.65174 13.3652 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 4.87192 8.74779 9.58012 7.19357 9.65174 6.79749 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.93806 11.8358 8.03028 8.53624 7.87729 13.3357 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 9.93806 10.439 7.39754 8.53624 7.87729 13.7136 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.04752 14.3419 9.92553 8.20377 9.67274 9.65072 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 6.63857 9.48625 8.77841 5.39108 4.72339 6.86082 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 6.63857 9.48625 8.77841 7.4253 6.48902 4.79593 numMergedOcc 0
9 mol 111 unq 2 iso 0 dist 6.63857 9.48625 8.77841 13.201 7.21505 10.2571 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.81779 8.58511 8.03035 13.139 7.62197 10.7475 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 8.34503 10.6067 7.76594 4.86495 4.48699 9.93041 numMergedOcc 0
12 mol 131 unq 1 iso 0 dist 5.70499 12.4872 7.76594 3.38209 4.48699 9.93041 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 9.36023 13.3448 6.98813 9.92974 8.3735 12.005 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 9.36023 5.8849 5.39314 9.92974 8.3735 4.77448 numMergedOcc 0
15 mol 140 unq 2 iso 0 dist 6.88264 5.8849 5.3573 9.92974 9.25342 4.77448 numMergedOcc 0
16 mol 140 unq 3 iso 0 dist 9.43159 12.4664 6.98813 3.25348 8.3735 12.005 numMergedOcc 0
17 mol 140 unq 4 iso 0 dist 9.43159 7.45506 5.39314 3.25348 8.3735 4.77448 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 9.37298 9.90641 8.99983 4.31404 8.12238 5.64425 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 6.00293 11.092 8.53374 5.77936 9.56342 9.586 numMergedOcc 0
20 mol 163 unq 0 iso 0 dist 7.27002 5.57459 7.3546 7.82355 9.40912 6.08019 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 6.59925 3.87881 7.32419 3.46183 7.6741 6.41193 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 6.59925 9.0465 8.31961 3.46183 7.6741 10.568 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 6.45821 12.0728 8.22792 3.33782 5.4621 9.11917 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 6.45821 12.0728 8.22792 9.06704 8.91819 10.6889 numMergedOcc 0
25 mol 237 unq 0 iso 0 dist 8.32964 4.83024 7.63812 16.3355 8.96803 13.4452 numMergedOcc 0
26 mol 237 unq 1 iso 0 dist 8.32964 4.83024 7.63812 5.16567 7.95072 8.49326 numMergedOcc 0
27 mol 237 unq 2 iso 0 dist 8.32964 6.69943 8.51129 16.3355 8.96803 14.1628 numMergedOcc 0
28 mol 237 unq 3 iso 0 dist 8.32964 6.69943 8.51129 5.16567 7.95072 5.41814 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 8.62955 7.10224 8.55481 13.3681 8.38453 14.8966 numMergedOcc 0
