0 mol 7 unq 0 iso 0 dist 6.22805 5.99355 5.72491 13.6699 10.789 9.55056 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22805 5.99355 5.72491 13.3157 10.515 7.45262 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 7.46752 6.76292 6.56335 12.3246 6.73355 7.40724 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.23292 5.33732 6.6492 6.80822 4.70708 8.5404 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.54845 14.6671 8.63486 15.2625 11.2318 8.98797 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 7.5984 11.1239 8.41611 8.57285 5.44503 6.40901 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 7.5984 14.3979 7.63338 12.8517 6.01455 8.1582 numMergedOcc 0
7 mol 143 unq 2 iso 0 dist 7.5984 14.3979 7.63338 8.57285 5.44503 9.40626 numMergedOcc 0
8 mol 143 unq 3 iso 0 dist 7.5984 12.1804 7.25673 12.8517 6.01455 7.88655 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 9.04554 13.8936 7.72144 19.2433 13.9336 9.47362 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 9.04554 13.8936 7.72144 13.6073 6.53652 6.28417 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 9.07833 4.97043 7.20392 11.7541 6.14208 7.345 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 9.07833 4.97043 7.20392 12.342 5.95965 9.52987 numMergedOcc 0
13 mol 188 unq 0 iso 0 dist 7.95028 9.91112 8.57261 16.7085 12.0548 7.48284 numMergedOcc 0
14 mol 189 unq 0 iso 0 dist 8.57361 8.53414 8.56355 14.9509 10.3197 9.6013 numMergedOcc 0
15 mol 189 unq 1 iso 0 dist 8.57361 8.53414 8.56355 12.8885 11.3081 8.32712 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.14819 6.83084 8.0144 14.7391 14.8202 8.50907 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 7.77535 4.08418 7.05523 6.96139 7.62375 7.2498 numMergedOcc 0
18 mol 214 unq 1 iso 0 dist 9.40003 12.2978 6.38157 13.7287 6.67959 5.10114 numMergedOcc 0
19 mol 214 unq 2 iso 0 dist 8.68385 11.7781 6.38157 10.7631 6.67959 5.10114 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 8.56954 6.46721 9.09271 14.4706 11.2344 8.85215 numMergedOcc 0
21 mol 230 unq 1 iso 0 dist 9.23938 6.46721 7.44838 14.4706 8.44099 8.85215 numMergedOcc 0
22 mol 240 unq 0 iso 0 dist 6.01168 14.3522 9.47583 15.3988 10.7371 8.33853 numMergedOcc 0
23 mol 240 unq 1 iso 0 dist 6.01168 14.3522 9.47583 19.1416 13.9225 5.66537 numMergedOcc 0
24 mol 240 unq 2 iso 0 dist 7.72928 14.3522 8.44909 15.3988 7.75407 8.33853 numMergedOcc 0
25 mol 240 unq 3 iso 0 dist 7.72928 14.3522 8.44909 19.1416 12.076 5.66537 numMergedOcc 0
26 mol 240 unq 4 iso 0 dist 6.83069 8.30926 9.47583 11.3647 10.7371 8.33853 numMergedOcc 0
27 mol 240 unq 5 iso 0 dist 6.83069 8.30926 9.47583 11.7406 13.9225 5.66537 numMergedOcc 0
28 mol 240 unq 6 iso 0 dist 9.30995 8.30926 8.44909 11.3647 7.75407 8.33853 numMergedOcc 0
29 mol 240 unq 7 iso 0 dist 9.30995 8.30926 8.44909 11.7406 12.076 5.66537 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 6.44967 4.01898 6.17052 9.83514 6.48757 8.53148 numMergedOcc 0
31 mol 261 unq 0 iso 0 dist 8.50313 11.2562 8.60026 13.5663 5.22253 9.24121 numMergedOcc 0
32 mol 261 unq 1 iso 0 dist 7.6414 13.4429 8.60026 12.6505 5.22253 9.24121 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 8.82094 9.7816 9.05222 12.7107 5.7074 7.35433 numMergedOcc 0
34 mol 272 unq 1 iso 0 dist 9.80332 11.6389 9.05222 11.4354 5.7074 7.35433 numMergedOcc 0
