0 mol 16 unq 0 iso 0 dist 7.88676 7.46752 6.53177 9.47421 5.1298 5.94084 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.26685 6.53817 11.7814 9.16861 5.91142 12.6863 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.26685 9.81769 14.8418 9.16861 5.91142 17.064 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 8.28673 4.68793 10.9806 7.64235 8.21014 6.59294 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 8.28673 4.68793 10.9806 6.00623 6.53598 5.62412 numMergedOcc 0
5 mol 41 unq 2 iso 0 dist 8.28673 4.68793 10.9806 6.59367 10.9877 5.0364 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.36915 5.36645 8.03277 8.80334 10.7888 4.84988 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 6.01454 5.36645 9.26483 8.80334 13.7656 4.84988 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 7.72437 5.41569 10.6667 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 9.3473 7.02352 9.96083 7.72437 5.41569 5.76588 numMergedOcc 0
10 mol 64 unq 2 iso 0 dist 6.08228 5.54343 5.33496 8.61926 7.41847 5.35421 numMergedOcc 0
11 mol 69 unq 0 iso 0 dist 8.36667 8.24121 14.9981 5.29487 9.46017 11.1718 numMergedOcc 0
12 mol 69 unq 1 iso 0 dist 8.36667 8.52371 13.689 5.29487 9.46017 5.16281 numMergedOcc 0
13 mol 69 unq 2 iso 0 dist 8.36667 6.8198 5.23597 5.29487 9.46017 6.26716 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 6.60356 9.57498 14.3495 6.0026 8.57632 7.2495 numMergedOcc 0
15 mol 102 unq 0 iso 0 dist 8.63522 7.48277 10.8684 6.793 7.99081 4.32286 numMergedOcc 0
16 mol 102 unq 1 iso 0 dist 8.63522 9.0361 10.2218 6.793 7.99081 5.498 numMergedOcc 0
17 mol 102 unq 2 iso 0 dist 5.43401 7.48277 9.76734 6.793 6.83631 4.32286 numMergedOcc 0
18 mol 102 unq 3 iso 0 dist 5.43401 9.0361 8.17186 6.793 6.83631 5.498 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 9.92335 9.41832 8.78908 5.17739 8.43002 5.58533 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 9.92335 5.44596 4.83408 5.17739 8.43002 4.6872 numMergedOcc 0
21 mol 140 unq 2 iso 0 dist 9.92335 9.69069 12.2686 5.17739 8.43002 5.5723 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 9.82329 8.58946 13.1346 9.72291 6.28495 11.206 numMergedOcc 0
23 mol 171 unq 0 iso 0 dist 9.47945 6.01711 5.53673 7.13078 6.77761 5.38746 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 7.77669 11.3105 10.3111 numMergedOcc 0
25 mol 175 unq 1 iso 0 dist 8.6609 9.45659 11.0866 7.77669 11.3105 10.6973 numMergedOcc 0
26 mol 175 unq 2 iso 0 dist 8.6609 9.44856 13.5907 7.77669 11.3105 6.27043 numMergedOcc 0
27 mol 175 unq 3 iso 0 dist 6.21546 6.73365 5.50014 7.77669 5.2437 10.3111 numMergedOcc 0
28 mol 175 unq 4 iso 0 dist 6.21546 9.45659 7.39186 7.77669 5.2437 10.6973 numMergedOcc 0
29 mol 175 unq 5 iso 0 dist 6.21546 9.44856 7.05768 7.77669 5.2437 6.27043 numMergedOcc 0
30 mol 175 unq 6 iso 0 dist 6.03184 6.73365 7.28617 7.77669 7.87691 10.3111 numMergedOcc 0
31 mol 175 unq 7 iso 0 dist 6.03184 9.45659 5.77256 7.77669 7.87691 10.6973 numMergedOcc 0
32 mol 175 unq 8 iso 0 dist 6.03184 9.44856 4.96871 7.77669 7.87691 6.27043 numMergedOcc 0
33 mol 219 unq 0 iso 0 dist 4.67452 8.09769 10.0509 9.38761 9.78352 4.74167 numMergedOcc 0
34 mol 219 unq 1 iso 0 dist 4.67452 7.24832 5.48556 9.38761 9.78352 4.9853 numMergedOcc 0
35 mol 220 unq 0 iso 0 dist 7.35148 7.30244 10.48 9.13234 9.3304 12.4477 numMergedOcc 0
36 mol 220 unq 1 iso 0 dist 7.35148 7.29796 5.23846 9.13234 9.3304 12.3083 numMergedOcc 0
37 mol 220 unq 2 iso 0 dist 7.57716 9.85951 9.86723 9.49722 12.5157 5.21956 numMergedOcc 0
38 mol 220 unq 3 iso 0 dist 8.98362 9.85951 6.80494 9.49722 5.34316 5.21956 numMergedOcc 0
39 mol 224 unq 0 iso 0 dist 7.62593 4.79841 5.41021 8.15582 10.2497 5.70973 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 9.13126 6.73134 6.0258 5.77356 10.3827 6.40312 numMergedOcc 0
41 mol 236 unq 1 iso 0 dist 9.13126 6.73134 6.0258 9.24309 12.2148 6.2568 numMergedOcc 0
42 mol 239 unq 0 iso 0 dist 8.34832 9.27989 11.4465 9.51945 15.8519 18.276 numMergedOcc 0
43 mol 248 unq 0 iso 0 dist 8.11968 6.44967 4.53213 9.83514 4.11367 6.48757 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 7.319 9.6147 13.2117 5.81721 6.98535 9.72804 numMergedOcc 0
45 mol 279 unq 1 iso 0 dist 6.12742 9.6147 5.34376 5.81721 5.4527 9.72804 numMergedOcc 0
46 mol 279 unq 2 iso 0 dist 9.45886 9.6147 10.0132 5.81721 5.87196 9.72804 numMergedOcc 0
47 mol 284 unq 0 iso 0 dist 9.47963 6.86342 7.94887 6.34235 10.5918 7.29657 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 8.04003 9.22306 5.64519 9.11967 5.89971 4.62998 numMergedOcc 0
49 mol 288 unq 0 iso 0 dist 8.04003 9.22306 5.64519 9.11967 5.89971 4.62998 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 8.04003 9.22306 5.64519 9.11967 5.89971 4.62998 numMergedOcc 0
