0 mol 73 unq 0 iso 0 dist 6.53468 14.5223 8.0534 12.2874 8.58543 9.58688 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 8.78859 9.08204 9.01452 12.2874 8.99433 8.20943 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 5.90954 11.7502 8.0534 7.81776 8.58543 9.58688 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 8.42713 12.7083 5.89661 8.02579 5.51624 6.10639 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 8.42713 12.7083 5.89661 12.3147 7.8674 12.8537 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 8.21032 7.44572 5.89661 12.1011 5.51624 6.10639 numMergedOcc 0
6 mol 93 unq 3 iso 0 dist 8.21032 7.44572 5.89661 9.97789 7.8674 12.8537 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 9.82548 5.8926 4.86701 15.0098 8.77841 10.3326 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 6.4752 14.5183 9.95533 6.96543 9.23528 13.1959 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 6.4752 13.8716 7.94147 6.96543 9.23528 16.9873 numMergedOcc 0
10 mol 163 unq 0 iso 0 dist 9.3832 17.4608 8.67619 16.5085 7.3546 6.36862 numMergedOcc 0
11 mol 163 unq 1 iso 0 dist 6.0247 7.1643 8.67619 6.56076 7.3546 6.36862 numMergedOcc 0
12 mol 163 unq 2 iso 0 dist 6.40873 11.2768 8.67619 9.55758 7.3546 6.36862 numMergedOcc 0
13 mol 171 unq 0 iso 0 dist 6.69054 13.9794 9.85967 9.6968 9.75627 8.98068 numMergedOcc 0
14 mol 171 unq 1 iso 0 dist 6.69054 6.81989 9.7578 9.6968 9.75627 14.3134 numMergedOcc 0
15 mol 173 unq 0 iso 0 dist 7.92535 8.7459 7.34748 10.6822 9.29264 10.5085 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 5.72444 6.7488 9.27651 5.77167 8.93185 11.3699 numMergedOcc 0
17 mol 218 unq 1 iso 0 dist 5.72444 6.7488 9.27651 7.54799 8.22792 14.2443 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 9.43554 11.3347 9.84682 15.3306 9.60364 7.23699 numMergedOcc 0
19 mol 250 unq 1 iso 0 dist 9.43554 14.0873 8.26719 15.3306 9.60364 11.6387 numMergedOcc 0
20 mol 250 unq 2 iso 0 dist 9.21681 17.9595 9.84682 14.1113 9.60364 7.23699 numMergedOcc 0
21 mol 250 unq 3 iso 0 dist 9.21681 6.37495 8.26719 14.1113 9.60364 11.6387 numMergedOcc 0
22 mol 286 unq 0 iso 0 dist 7.77655 8.73339 6.99185 6.77784 5.91064 6.85637 numMergedOcc 0
