0 mol 24 unq 0 iso 0 dist 5.54419 6.6219 4.82629 8.23075 6.7846 10.1923 12.3067 7.36323 11.0181 10.551 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.54419 6.6219 4.82629 4.7841 8.03955 9.92483 12.3067 7.36323 11.0181 14.1707 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 5.54419 5.68215 10.1698 8.23075 6.7846 9.24731 12.3067 7.36323 17.003 10.551 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 5.54419 5.68215 10.1698 4.7841 8.03955 3.53396 12.3067 7.36323 17.003 14.1707 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.80331 6.6263 5.41726 7.39848 9.86609 5.14161 8.13395 6.20293 6.75943 11.4251 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 7.4785 4.25144 5.77163 5.47421 7.32874 8.69057 6.39747 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.81627 5.38524 5.61579 7.4785 4.25144 5.77163 9.7274 9.55426 13.1897 10.307 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 7.32874 8.69057 5.61579 8.34191 8.44881 11.7295 5.47421 6.81627 5.38524 12.1872 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 7.32874 8.69057 5.61579 8.34191 8.44881 11.7295 5.90225 9.55426 13.1897 9.79064 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 7.32874 8.69057 5.61579 6.39747 4.25144 5.77163 5.47421 6.81627 5.38524 7.4785 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 7.32874 8.69057 5.61579 6.39747 4.25144 5.77163 5.90225 9.55426 13.1897 10.307 numMergedOcc 0
11 mol 58 unq 6 iso 0 dist 6.35756 8.96727 9.87158 7.17488 4.59417 10.5853 5.35073 6.86465 13.3281 9.23438 numMergedOcc 0
12 mol 58 unq 7 iso 0 dist 6.35756 8.96727 9.87158 7.17488 4.59417 10.5853 4.81926 6.62496 9.22598 9.9105 numMergedOcc 0
13 mol 58 unq 8 iso 0 dist 6.35756 8.01308 5.86526 7.17488 4.59417 5.11422 5.35073 6.86465 11.5155 9.23438 numMergedOcc 0
14 mol 58 unq 9 iso 0 dist 6.35756 8.01308 5.86526 7.17488 4.59417 5.11422 4.81926 6.62496 9.55996 9.9105 numMergedOcc 0
15 mol 72 unq 0 iso 0 dist 9.96708 7.12321 7.47371 4.86198 10.7434 4.38233 8.24309 9.78528 6.21799 6.62699 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 9.78528 6.21799 7.47371 6.62699 10.7434 4.38233 8.24309 9.96708 7.12321 4.86198 numMergedOcc 0
17 mol 72 unq 2 iso 0 dist 9.78528 5.03251 9.67587 6.62699 10.7434 5.62585 8.24309 9.96708 9.35457 4.86198 numMergedOcc 0
18 mol 72 unq 3 iso 0 dist 9.78528 7.66093 7.07356 6.62699 10.7434 9.84528 8.24309 9.96708 12.1131 4.86198 numMergedOcc 0
19 mol 73 unq 0 iso 0 dist 8.70481 5.5087 11.2069 7.37171 15.1432 10.0644 14.9342 9.96396 13.3207 21.1182 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 8.70481 5.5087 11.2069 7.37171 15.1432 10.0644 13.3558 6.19304 13.8368 19.3924 numMergedOcc 0
21 mol 73 unq 2 iso 0 dist 8.70481 6.08682 10.6713 7.37171 15.1432 12.1501 14.9342 9.96396 14.498 21.1182 numMergedOcc 0
22 mol 73 unq 3 iso 0 dist 8.70481 6.08682 10.6713 7.37171 15.1432 12.1501 13.3558 6.19304 14.5999 19.3924 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 6.19965 7.7068 4.41789 8.04242 8.18948 11.1225 5.42586 7.97049 10.2413 11.5901 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 7.66905 7.7068 5.59906 8.04242 14.113 11.1225 5.42586 7.47541 10.2413 11.5901 numMergedOcc 0
25 mol 85 unq 2 iso 0 dist 7.66905 7.7068 5.59906 8.04242 14.113 11.1225 10.1164 5.73196 11.2056 17.4114 numMergedOcc 0
26 mol 88 unq 0 iso 0 dist 9.36773 7.80898 12.1193 9.07128 10.8406 9.11654 5.57085 8.31336 12.785 10.3871 numMergedOcc 0
27 mol 88 unq 1 iso 0 dist 9.36773 7.80898 12.1193 6.65615 4.47193 10.8983 5.57085 8.31336 12.785 5.07548 numMergedOcc 0
28 mol 129 unq 0 iso 0 dist 8.54584 6.69691 8.26896 7.97548 12.5321 9.74071 4.61027 8.53613 10.5979 9.9291 numMergedOcc 0
29 mol 129 unq 1 iso 0 dist 8.54584 6.69691 8.26896 9.64164 11.3755 6.92699 4.61027 8.53613 10.5979 12.7196 numMergedOcc 0
30 mol 129 unq 2 iso 0 dist 8.54584 5.51197 12.1739 7.97548 12.5321 9.87781 4.61027 8.53613 9.97604 9.9291 numMergedOcc 0
31 mol 129 unq 3 iso 0 dist 8.54584 5.51197 12.1739 9.64164 11.3755 9.93375 4.61027 8.53613 9.97604 12.7196 numMergedOcc 0
32 mol 129 unq 4 iso 0 dist 8.54584 8.86944 5.63254 7.97548 12.5321 13.8096 4.61027 8.53613 11.1246 9.9291 numMergedOcc 0
33 mol 129 unq 5 iso 0 dist 8.54584 8.86944 5.63254 9.64164 11.3755 11.221 4.61027 8.53613 11.1246 12.7196 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 8.56324 6.59889 5.39112 7.55934 9.73449 5.12696 7.65448 6.70283 6.70693 11.2397 numMergedOcc 0
35 mol 152 unq 1 iso 0 dist 8.56324 6.59889 5.39112 7.55934 9.73449 5.12696 10.6875 7.16148 10.4895 15.1951 numMergedOcc 0
36 mol 152 unq 2 iso 0 dist 8.56324 8.9192 4.84714 7.55934 9.73449 6.04238 7.65448 6.70283 9.27706 11.2397 numMergedOcc 0
37 mol 152 unq 3 iso 0 dist 8.56324 8.9192 4.84714 7.55934 9.73449 6.04238 10.6875 7.16148 11.6735 15.1951 numMergedOcc 0
38 mol 248 unq 0 iso 0 dist 7.69895 9.05018 4.58289 7.79063 6.19721 9.81612 5.55137 7.21521 9.33962 9.64778 numMergedOcc 0
39 mol 248 unq 1 iso 0 dist 7.69895 9.05018 4.58289 7.79063 6.19721 9.81612 10.8081 8.2965 11.4547 11.1716 numMergedOcc 0
