0 mol 62 unq 0 iso 0 dist 4.85282 6.02731 7.46975 5.6359 5.46563 4.09232 11.4221 14.3699 7.56205 9.69044 numMergedOcc 0
1 mol 62 unq 1 iso 0 dist 4.85282 6.02731 7.46975 5.6359 5.46563 4.09232 4.05764 8.1599 4.74544 6.9103 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 5.77675 5.86118 4.31746 5.35145 3.77705 5.26394 6.24947 11.3095 9.49144 11.1957 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.25884 8.59945 10.0241 7.29121 10.3688 5.98721 8.48982 12.2463 6.36086 10.4315 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 8.25884 8.59945 10.0241 8.35847 12.639 9.66249 8.48982 12.2463 6.36086 13.1938 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 8.80094 8.80059 16.5533 8.96534 3.90323 16.2709 14.4671 22.5247 7.44629 22.9388 numMergedOcc 0
6 mol 168 unq 1 iso 0 dist 8.80094 8.80059 16.5533 8.65328 6.97182 12.6805 14.4671 22.5247 7.44629 19.0785 numMergedOcc 0
7 mol 168 unq 2 iso 0 dist 8.80094 8.80059 16.5533 5.69346 13.358 7.61798 14.4671 22.5247 7.44629 13.5658 numMergedOcc 0
8 mol 168 unq 3 iso 0 dist 9.03681 8.80059 9.91815 8.96534 15.9598 16.2709 14.4671 13.3967 7.44629 22.9388 numMergedOcc 0
9 mol 168 unq 4 iso 0 dist 9.03681 8.80059 9.91815 8.65328 16.9458 12.6805 14.4671 13.3967 7.44629 19.0785 numMergedOcc 0
10 mol 168 unq 5 iso 0 dist 9.03681 8.80059 9.91815 5.69346 4.92763 7.61798 14.4671 13.3967 7.44629 13.5658 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 7.7195 8.53734 4.98945 7.87612 13.0669 11.4427 11.071 6.07091 9.61462 18.0601 numMergedOcc 0
12 mol 171 unq 1 iso 0 dist 9.43988 8.53734 13.7258 7.87612 5.89908 11.4427 11.071 19.5671 9.61462 18.0601 numMergedOcc 0
13 mol 171 unq 2 iso 0 dist 8.30819 6.08141 4.98945 5.98495 9.74745 4.88147 10.3893 6.07091 9.61462 13.5 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.39622 8.28099 5.18732 5.09756 3.6848 4.03697 14.6912 11.5247 7.76163 11.651 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 5.39622 8.28099 5.18732 5.09756 3.6848 4.03697 6.15341 9.44405 8.73217 6.61112 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 5.39622 8.28099 5.18732 7.44523 5.33968 8.99937 14.6912 11.5247 7.76163 16.1318 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 5.39622 8.28099 5.18732 7.44523 5.33968 8.99937 6.15341 9.44405 8.73217 11.4283 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 8.09572 4.83135 10.2655 9.95371 8.10268 11.8216 6.85258 13.5706 6.70531 16.7135 numMergedOcc 0
19 mol 196 unq 1 iso 0 dist 8.09572 4.83135 10.2655 9.95371 8.10268 11.8216 9.99132 10.7813 6.86319 15.202 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.15743 8.70651 6.36084 7.13253 6.54593 4.68548 9.88635 7.70279 8.50102 11.4909 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 8.15743 8.70651 6.36084 7.13253 6.54593 4.68548 5.08111 9.29752 9.40808 10.3021 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 5.67249 8.88567 6.06471 4.37501 4.86668 10.2835 5.19951 7.46434 6.30154 8.84746 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 5.67249 9.45787 11.1213 4.37501 4.86668 11.1693 5.19951 7.46434 7.32499 8.84746 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 6.5095 7.24253 10.2558 5.91328 6.75573 10.1372 6.54531 11.3838 7.49645 12.3379 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 6.5095 7.24253 10.2558 5.91328 6.75573 10.1372 11.6229 15.2774 9.9222 17.256 numMergedOcc 0
26 mol 243 unq 2 iso 0 dist 6.5095 7.24253 10.2558 6.02146 7.64134 12.4661 6.54531 11.3838 7.49645 12.1846 numMergedOcc 0
27 mol 243 unq 3 iso 0 dist 6.5095 7.24253 10.2558 6.02146 7.64134 12.4661 11.6229 15.2774 9.9222 17.4392 numMergedOcc 0
28 mol 243 unq 4 iso 0 dist 5.1766 7.24253 3.87679 5.91328 8.61196 10.1372 6.54531 6.86162 7.49645 12.3379 numMergedOcc 0
29 mol 243 unq 5 iso 0 dist 5.1766 7.24253 3.87679 5.91328 8.61196 10.1372 11.6229 10.0226 9.9222 17.256 numMergedOcc 0
30 mol 243 unq 6 iso 0 dist 5.1766 7.24253 3.87679 6.02146 10.4256 12.4661 6.54531 6.86162 7.49645 12.1846 numMergedOcc 0
31 mol 243 unq 7 iso 0 dist 5.1766 7.24253 3.87679 6.02146 10.4256 12.4661 11.6229 10.0226 9.9222 17.4392 numMergedOcc 0
