0 mol 62 unq 0 iso 0 dist 4.85282 6.02731 7.46975 5.6359 5.46563 4.09232 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 5.77675 5.86118 4.31746 5.35145 3.77705 5.26394 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.25884 8.59945 10.0241 7.29121 10.3688 5.98721 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 8.25884 8.59945 10.0241 8.35847 12.639 9.66249 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.19959 6.16338 6.1209 8.85892 3.37815 9.38626 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.18358 7.54919 4.22631 7.56 3.80156 5.76452 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.34149 8.21272 5.21047 8.25027 13.8717 16.0555 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.63279 8.21272 5.73901 8.25027 15.2333 16.0555 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.80661 8.97069 10.0548 6.31404 10.7383 13.9264 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 7.80661 5.7251 4.12065 6.31404 10.7383 9.48049 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 8.80094 8.80059 16.5533 8.96534 3.90323 16.2709 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 8.80094 8.80059 16.5533 8.65328 6.97182 12.6805 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 8.80094 8.80059 16.5533 5.69346 13.358 7.61798 numMergedOcc 0
13 mol 168 unq 3 iso 0 dist 9.03681 8.80059 9.91815 8.96534 15.9598 16.2709 numMergedOcc 0
14 mol 168 unq 4 iso 0 dist 9.03681 8.80059 9.91815 8.65328 16.9458 12.6805 numMergedOcc 0
15 mol 168 unq 5 iso 0 dist 9.03681 8.80059 9.91815 5.69346 4.92763 7.61798 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 7.7195 8.53734 4.98945 7.87612 13.0669 11.4427 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 9.43988 8.53734 13.7258 7.87612 5.89908 11.4427 numMergedOcc 0
18 mol 171 unq 2 iso 0 dist 8.30819 6.08141 4.98945 5.98495 9.74745 4.88147 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 5.39622 8.28099 5.18732 5.09756 3.6848 4.03697 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 5.39622 8.28099 5.18732 7.44523 5.33968 8.99937 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 9.75853 8.96031 13.9566 9.56218 13.3592 6.3369 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 9.75853 8.96031 13.9566 8.30899 13.0046 8.54288 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 8.09572 4.83135 10.2655 9.95371 8.10268 11.8216 numMergedOcc 0
24 mol 225 unq 0 iso 0 dist 9.60654 8.65088 7.43844 9.48525 16.0311 10.3327 numMergedOcc 0
25 mol 225 unq 1 iso 0 dist 7.11262 8.65088 4.32093 9.48525 6.04066 10.3327 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 8.15743 8.70651 6.36084 7.13253 6.54593 4.68548 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 5.67249 8.88567 6.06471 4.37501 4.86668 10.2835 numMergedOcc 0
28 mol 234 unq 1 iso 0 dist 5.67249 9.45787 11.1213 4.37501 4.86668 11.1693 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 6.5095 7.24253 10.2558 5.91328 6.75573 10.1372 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 6.5095 7.24253 10.2558 6.02146 7.64134 12.4661 numMergedOcc 0
31 mol 243 unq 2 iso 0 dist 6.5095 7.83742 7.31632 5.91328 6.75573 10.2211 numMergedOcc 0
32 mol 243 unq 3 iso 0 dist 6.5095 7.83742 7.31632 6.02146 7.64134 7.64155 numMergedOcc 0
33 mol 243 unq 4 iso 0 dist 5.1766 7.24253 3.87679 5.91328 8.61196 10.1372 numMergedOcc 0
34 mol 243 unq 5 iso 0 dist 5.1766 7.24253 3.87679 6.02146 10.4256 12.4661 numMergedOcc 0
35 mol 243 unq 6 iso 0 dist 5.1766 7.83742 10.9686 5.91328 8.61196 10.2211 numMergedOcc 0
36 mol 243 unq 7 iso 0 dist 5.1766 7.83742 10.9686 6.02146 10.4256 7.64155 numMergedOcc 0
37 mol 260 unq 0 iso 0 dist 8.79012 7.23618 7.55193 7.97307 9.0549 9.07649 numMergedOcc 0
38 mol 260 unq 1 iso 0 dist 8.79012 7.23618 7.55193 8.52702 17.1277 14.885 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 6.84909 5.54272 6.08322 8.51266 11.4255 9.83556 numMergedOcc 0
