0 mol 1 unq 0 iso 0 dist 8.27735 6.03793 8.56884 9.80295 6.09918 8.78328 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.25179 6.62605 6.85412 13.647 9.78006 7.98363 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 7.25179 4.75933 6.33889 13.647 9.78006 10.4204 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 8.72522 11.0121 6.85412 16.2983 9.78006 7.98363 numMergedOcc 0
4 mol 9 unq 3 iso 0 dist 8.72522 6.35665 6.33889 16.2983 9.78006 10.4204 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 8.82056 4.07239 6.00439 7.19365 7.48847 6.34272 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 7.34549 7.23551 6.73162 14.0065 8.44506 8.13684 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 8.09068 4.03252 6.73162 8.26538 8.44506 8.13684 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 9.72289 8.34836 6.73162 10.9934 8.44506 8.13684 numMergedOcc 0
9 mol 76 unq 0 iso 0 dist 7.63534 4.35757 8.97793 7.28582 4.79949 6.81799 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 7.63534 4.35757 8.97793 8.88157 7.27693 6.42322 numMergedOcc 0
11 mol 76 unq 2 iso 0 dist 7.63534 6.55474 8.19682 7.28582 4.79949 8.83525 numMergedOcc 0
12 mol 76 unq 3 iso 0 dist 7.63534 6.55474 8.19682 8.88157 7.27693 5.77727 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 6.40792 9.78198 8.19104 6.8108 5.39064 5.39245 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 7.81701 5.88778 8.19104 5.85339 5.39064 5.39245 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 7.14849 8.42124 8.96511 6.72936 4.92088 7.07052 numMergedOcc 0
16 mol 178 unq 1 iso 0 dist 8.63718 8.15374 8.96511 9.74054 4.92088 7.07052 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.15963 9.09192 6.94688 4.41466 6.51749 10.4684 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 7.15963 12.1848 6.71012 4.41466 6.51749 12.69 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 9.09322 6.93732 7.01383 6.87933 8.54827 5.45974 numMergedOcc 0
20 mol 183 unq 1 iso 0 dist 9.60723 4.50779 7.01383 8.57308 8.54827 5.45974 numMergedOcc 0
21 mol 204 unq 0 iso 0 dist 6.20646 6.27504 5.90931 8.75405 6.85441 10.7974 numMergedOcc 0
22 mol 204 unq 1 iso 0 dist 6.73266 6.67807 5.90931 7.32929 6.85441 10.7974 numMergedOcc 0
23 mol 204 unq 2 iso 0 dist 5.5581 4.70359 9.59333 6.7132 8.0144 10.3763 numMergedOcc 0
24 mol 204 unq 3 iso 0 dist 9.66975 4.21758 9.59333 13.1353 8.0144 10.3763 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 9.85348 7.64323 8.53199 4.58065 8.06216 5.31559 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 9.85348 7.64323 8.53199 10.6818 5.76954 8.21424 numMergedOcc 0
27 mol 218 unq 2 iso 0 dist 9.85348 7.64323 8.53199 12.85 6.29511 10.1198 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 6.15754 4.48571 6.25105 14.1265 8.24186 13.0974 numMergedOcc 0
29 mol 234 unq 1 iso 0 dist 6.6281 5.91466 6.25105 14.0259 8.24186 13.0974 numMergedOcc 0
30 mol 234 unq 2 iso 0 dist 8.9413 6.40261 9.5707 14.1265 7.5366 16.5499 numMergedOcc 0
31 mol 234 unq 3 iso 0 dist 8.9413 4.48571 7.85175 14.1265 7.5366 13.0974 numMergedOcc 0
32 mol 234 unq 4 iso 0 dist 4.91961 12.2893 9.5707 8.3084 7.5366 16.5499 numMergedOcc 0
33 mol 234 unq 5 iso 0 dist 4.91961 11.1927 7.85175 8.3084 7.5366 13.0974 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 5.99137 4.47231 5.34718 10.968 8.50331 11.6774 numMergedOcc 0
35 mol 240 unq 0 iso 0 dist 7.0935 6.65921 6.15305 3.38705 9.47583 9.75032 numMergedOcc 0
36 mol 240 unq 1 iso 0 dist 7.0935 10.6145 8.0951 3.38705 9.47583 12.9871 numMergedOcc 0
37 mol 240 unq 2 iso 0 dist 7.12912 6.65921 7.03489 3.38705 8.44909 9.75032 numMergedOcc 0
38 mol 253 unq 0 iso 0 dist 9.86979 10.094 7.19465 15.3582 7.77998 14.5407 numMergedOcc 0
39 mol 257 unq 0 iso 0 dist 8.95261 9.63067 7.14834 14.4618 9.95546 5.21218 numMergedOcc 0
40 mol 257 unq 1 iso 0 dist 7.80336 5.47761 7.14834 10.369 9.95546 5.21218 numMergedOcc 0
