0 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 11.6226 8.09311 16.0162 8.66248 14.9512 7.49157 17.8718 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 6.86014 10.0952 11.6226 8.09311 16.0162 6.73521 12.1131 7.73794 13.993 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.86116 6.86014 10.0952 13.1949 9.05357 16.8554 8.66248 14.9512 7.49157 21.5474 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.86116 6.86014 10.0952 13.1949 9.05357 16.8554 6.73521 12.1131 7.73794 18.816 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 7.36323 5.54419 12.3067 6.28159 8.87744 10.4135 6.7846 10.551 8.23075 5.75365 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 7.36323 5.54419 12.3067 6.28159 8.87744 10.4135 8.03955 14.1707 4.7841 10.3499 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 6.7846 10.551 8.23075 3.67206 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 7.36323 5.54419 12.3067 5.50396 7.27472 9.33482 8.03955 14.1707 4.7841 8.93303 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 5.07458 6.66407 10.0168 14.0654 13.9823 9.02471 18.6518 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 5.41726 6.75943 6.6263 9.86609 11.4251 7.39848 5.14161 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 5.61579 5.38524 8.69057 8.44881 12.1872 8.34191 11.7295 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 6.81627 7.32874 5.47421 5.61579 5.38524 8.69057 4.25144 7.4785 6.39747 5.77163 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 7.32874 6.81627 5.47421 5.61579 8.69057 5.38524 4.25144 6.39747 7.4785 5.77163 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 6.62496 6.86465 5.30792 9.87158 9.22598 13.3281 4.59417 9.9105 9.23438 10.5853 numMergedOcc 0
14 mol 58 unq 4 iso 0 dist 6.62496 6.35756 4.81926 9.87158 9.22598 8.96727 4.59417 9.9105 7.17488 10.5853 numMergedOcc 0
15 mol 58 unq 5 iso 0 dist 6.35756 6.86465 5.35073 9.87158 8.96727 13.3281 4.59417 7.17488 9.23438 10.5853 numMergedOcc 0
16 mol 58 unq 6 iso 0 dist 6.35756 6.86465 5.35073 5.86526 8.01308 11.5155 4.59417 7.17488 9.23438 5.11422 numMergedOcc 0
17 mol 58 unq 7 iso 0 dist 9.4099 9.55426 10.6169 8.55984 9.08221 15.6595 10.5901 16.824 9.4278 16.8549 numMergedOcc 0
18 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.47371 7.12321 6.21799 10.7434 4.86198 6.62699 4.38233 numMergedOcc 0
19 mol 72 unq 1 iso 0 dist 9.78528 9.96708 8.24309 7.47371 6.21799 7.12321 10.7434 6.62699 4.86198 4.38233 numMergedOcc 0
20 mol 72 unq 2 iso 0 dist 9.78528 9.96708 8.24309 9.67587 5.03251 9.35457 10.7434 6.62699 4.86198 5.62585 numMergedOcc 0
21 mol 72 unq 3 iso 0 dist 9.78528 9.96708 8.24309 7.07356 7.66093 12.1131 10.7434 6.62699 4.86198 9.84528 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 5.70116 9.73086 12.8207 15.1432 21.1182 7.37171 19.9387 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 6.20232 8.68662 13.8931 15.1432 19.3924 7.37171 20.5567 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 6.19304 8.70481 13.3558 5.70116 7.4369 12.8207 15.1432 19.3924 7.37171 19.9387 numMergedOcc 0
25 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 12.1193 7.80898 12.785 4.47193 6.65615 5.07548 10.8983 numMergedOcc 0
26 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 11.3215 9.3948 19.7448 4.73066 11.5898 7.51733 13.4478 numMergedOcc 0
27 mol 95 unq 1 iso 0 dist 8.03644 9.03572 16.6055 5.06946 9.74607 11.97 4.73066 11.5898 7.51733 6.27485 numMergedOcc 0
28 mol 95 unq 2 iso 0 dist 8.03644 8.83255 13.8105 11.3215 9.3948 19.9408 4.73066 11.5898 9.01607 13.4478 numMergedOcc 0
29 mol 95 unq 3 iso 0 dist 8.03644 8.83255 13.8105 5.06946 9.74607 13.5721 4.73066 11.5898 9.01607 6.27485 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 8.54584 8.53613 4.61027 12.1739 5.51197 9.97604 12.5321 7.97548 9.9291 9.87781 numMergedOcc 0
31 mol 129 unq 1 iso 0 dist 8.54584 8.53613 4.61027 5.63254 8.86944 11.1246 12.5321 7.97548 9.9291 13.8096 numMergedOcc 0
32 mol 129 unq 2 iso 0 dist 8.54584 8.53613 4.61027 8.26896 6.69691 10.5979 12.5321 7.97548 9.9291 9.74071 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 8.40312 6.85062 10.7062 3.98662 9.27976 10.7579 11.6692 17.775 8.80895 14.9765 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 6.70283 8.56324 7.65448 5.39112 6.70693 6.59889 9.73449 11.2397 7.55934 5.12696 numMergedOcc 0
35 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 4.58289 9.05018 9.33962 6.19721 7.79063 9.64778 9.81612 numMergedOcc 0
