0 mol 55 unq 0 iso 0 dist 9.46633 13.6455 8.03504 11.2058 7.87739 9.40104 13.6694 4.60627 9.3239 8.34632 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 9.46633 11.2058 7.87739 13.6455 8.03504 9.40104 13.6694 4.60627 8.34632 9.3239 numMergedOcc 0
2 mol 55 unq 2 iso 0 dist 9.46633 11.2058 7.87739 13.6455 8.03504 9.40104 10.9657 5.55161 5.62629 11.447 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.78393 4.27997 8.0757 11.9782 9.8958 8.97054 9.71282 4.98324 9.49909 8.37022 numMergedOcc 0
4 mol 56 unq 1 iso 0 dist 8.78393 11.9782 9.8958 4.27997 8.0757 8.97054 9.71282 4.98324 8.37022 9.49909 numMergedOcc 0
5 mol 56 unq 2 iso 0 dist 8.99619 6.41952 8.0757 4.83605 9.8958 8.97054 9.95507 4.98324 9.49909 8.37022 numMergedOcc 0
6 mol 56 unq 3 iso 0 dist 8.99619 4.83605 9.8958 6.41952 8.0757 8.97054 9.95507 4.98324 8.37022 9.49909 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 7.40481 11.3093 6.62952 6.41542 4.3521 5.4823 13.3483 11.2334 8.87856 11.3126 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.40481 11.3093 6.62952 6.41542 4.3521 5.4823 8.01128 7.89992 6.2491 3.59451 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 7.40481 6.41542 4.3521 11.3093 6.62952 5.4823 8.01128 7.89992 3.59451 6.2491 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 9.49001 9.15595 9.39801 6.73829 6.02154 4.8794 16.8003 12.5118 8.23566 11.1962 numMergedOcc 0
11 mol 99 unq 1 iso 0 dist 7.55765 5.91888 4.82346 10.0064 8.07233 4.8794 11.184 4.74328 8.23566 11.1962 numMergedOcc 0
12 mol 101 unq 0 iso 0 dist 8.70947 5.23253 7.11476 8.24111 9.60223 6.21457 11.8503 4.39441 9.1109 12.68 numMergedOcc 0
13 mol 101 unq 1 iso 0 dist 8.70947 5.23253 7.11476 8.24111 9.60223 6.21457 5.58941 4.84084 5.51185 10.3452 numMergedOcc 0
14 mol 104 unq 0 iso 0 dist 5.74478 6.02556 7.32917 4.09273 8.84844 5.26833 13.3711 12.6757 8.53028 11.6564 numMergedOcc 0
15 mol 209 unq 0 iso 0 dist 8.31544 5.96238 8.8886 5.04469 8.78565 6.11542 11.7459 8.13817 7.757 9.56015 numMergedOcc 0
16 mol 209 unq 1 iso 0 dist 8.31544 5.04469 8.78565 5.96238 8.8886 6.11542 11.7459 8.13817 9.56015 7.757 numMergedOcc 0
17 mol 267 unq 0 iso 0 dist 7.71379 5.05875 6.79491 5.23721 5.72144 7.06028 8.07801 9.17078 5.32643 11.366 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 5.37738 10.6569 6.40125 4.09948 7.25282 11.8204 10.6323 6.08499 8.83777 12.7326 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 5.37738 10.6569 6.40125 4.09948 7.25282 11.8204 12.1099 10.3278 9.42812 15.5229 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 6.74021 5.33357 8.52827 9.67694 7.14122 7.00034 11.9045 10.2078 8.87355 8.18179 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 6.74021 9.67694 7.14122 5.33357 8.52827 7.00034 11.9045 10.2078 8.18179 8.87355 numMergedOcc 0
22 mol 279 unq 2 iso 0 dist 6.74021 9.67694 7.14122 5.33357 8.52827 7.00034 11.323 4.8005 7.45556 12.022 numMergedOcc 0
23 mol 279 unq 3 iso 0 dist 6.74021 9.67694 7.14122 5.33357 8.52827 7.00034 13.4086 8.61009 5.25218 12.0184 numMergedOcc 0
