0 mol 24 unq 0 iso 0 dist 7.95042 8.52463 5.80953 13.0257 9.57743 4.90592 9.41441 10.0453 6.72323 10.0715 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.95042 8.52463 5.80953 6.60423 4.47891 9.36461 9.41441 10.0453 6.72323 11.9395 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.68215 5.11617 6.61696 4.93188 8.10397 4.90592 6.73939 4.08755 6.72323 10.0715 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.68215 5.11617 6.61696 14.156 13.8334 9.36461 6.73939 4.08755 6.72323 11.9395 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 9.12845 6.04762 6.81793 11.8778 9.45442 6.74848 10.3756 4.76998 6.56527 5.45023 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 7.57295 9.49968 6.63448 10.0962 5.71764 4.65127 10.1323 5.85676 8.97364 4.82351 numMergedOcc 0
6 mol 60 unq 1 iso 0 dist 8.4312 5.94827 6.63448 7.55695 5.71764 4.65127 9.90939 5.85676 8.97364 4.82351 numMergedOcc 0
7 mol 60 unq 2 iso 0 dist 7.48086 5.32257 6.63448 8.82176 5.71764 4.65127 11.6165 5.85676 8.97364 4.82351 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.68662 6.56633 8.96616 8.73253 10.9746 6.48232 10.2755 5.29727 8.87464 7.86177 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.73086 5.11416 6.14542 7.04044 7.8972 6.48232 12.1382 3.85385 8.87464 7.86177 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.4369 6.56633 6.14542 8.73253 7.8972 6.48232 10.2755 3.85385 8.87464 7.86177 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 6.72869 4.85247 7.46095 11.2278 6.48293 9.75201 11.2783 6.6642 8.95905 7.2505 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 9.85905 6.45686 7.46095 7.27693 6.48293 9.75201 9.38371 6.6642 8.95905 7.2505 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.13008 10.9681 8.93769 12.26 8.08435 8.29345 10.2298 11.9597 9.91054 9.01596 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 9.05166 5.76986 8.72725 13.6135 8.59786 9.77017 9.28592 8.72143 7.80873 7.22444 numMergedOcc 0
15 mol 112 unq 1 iso 0 dist 5.56994 5.76986 6.11407 13.6135 9.00531 9.77017 9.28592 5.08111 7.80873 7.22444 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 9.66543 7.1797 9.0176 7.36779 4.935 9.30061 10.8985 15.0575 6.40575 14.2253 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 7.21868 4.57832 9.0176 8.20836 4.935 9.30061 10.5252 15.0575 6.40575 14.2253 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 7.93372 5.29786 9.0176 10.873 4.935 9.30061 10.7586 15.0575 6.40575 14.2253 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 8.07097 10.1386 5.92302 6.69515 5.25982 4.46777 11.0743 10.0208 6.83404 5.38571 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 6.71524 4.9377 9.9183 7.83711 8.03712 6.57921 13.7227 14.876 9.78181 7.86594 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 6.71524 4.9377 9.9183 7.83711 8.03712 6.57921 9.05071 11.2243 9.8664 13.8622 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.30212 9.5468 7.77765 11.3823 14.6057 7.79704 13.9123 13.9324 7.75216 5.57372 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.30212 9.5468 7.77765 10.4834 15.1159 9.39276 13.9123 13.9324 7.75216 12.4711 numMergedOcc 0
24 mol 274 unq 2 iso 0 dist 6.4611 9.5468 9.65868 11.3823 6.522 7.79704 13.9123 10.7442 7.75216 5.57372 numMergedOcc 0
25 mol 274 unq 3 iso 0 dist 6.4611 9.5468 9.65868 10.4834 7.44746 9.39276 13.9123 10.7442 7.75216 12.4711 numMergedOcc 0
26 mol 274 unq 4 iso 0 dist 6.4611 6.70925 8.60027 11.5241 14.9951 8.2997 12.2077 13.3632 6.88827 5.36428 numMergedOcc 0
27 mol 274 unq 5 iso 0 dist 6.4611 6.70925 8.60027 11.5241 14.9951 8.2997 10.5387 5.39432 9.16942 14.986 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.57499 6.28695 9.26157 6.57903 14.6871 7.85414 10.5329 16.0346 8.20644 5.43373 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 5.46926 4.37645 9.26157 11.5506 14.6871 7.85414 12.1618 16.0346 8.20644 5.43373 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 8.9682 7.70529 9.26157 12.7237 14.6871 7.85414 10.8214 16.0346 8.20644 5.43373 numMergedOcc 0
