0 mol 43 unq 0 iso 0 dist 5.19462 10.4149 8.34145 14.9909 10.8828 6.6263 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 5.19462 10.4149 8.34145 9.16827 5.07458 6.75943 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 7.27048 5.01743 5.40489 11.321 5.46827 7.28228 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.65122 6.62543 8.77529 10.7264 9.67727 9.2898 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 6.00509 5.87704 8.05579 12.838 10.6632 8.40422 numMergedOcc 0
5 mol 89 unq 1 iso 0 dist 6.00509 5.87704 8.05579 11.1247 9.32983 8.40425 numMergedOcc 0
6 mol 89 unq 2 iso 0 dist 6.00509 5.87704 8.05579 9.51842 10.4274 7.47974 numMergedOcc 0
7 mol 89 unq 3 iso 0 dist 6.00509 5.87704 8.05579 8.25651 6.13636 5.51831 numMergedOcc 0
8 mol 89 unq 4 iso 0 dist 6.00509 5.87704 8.05579 11.0479 6.14929 9.65149 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 9.05612 10.6401 8.75345 19.1233 16.9857 9.11586 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 7.11486 5.22333 8.25397 8.14071 6.16616 5.58833 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 8.74572 5.23156 7.86352 6.01118 10.8974 7.06025 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 8.32647 6.97246 4.61596 10.8079 4.08775 5.96423 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 7.31478 4.44853 7.90657 9.06306 4.72944 7.94911 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.9694 15.6849 9.43017 21.9413 16.8346 7.46481 numMergedOcc 0
15 mol 214 unq 1 iso 0 dist 8.83512 6.15628 9.43017 11.0461 16.8346 7.46481 numMergedOcc 0
16 mol 214 unq 2 iso 0 dist 8.02723 9.1215 9.43017 15.3479 16.8346 7.46481 numMergedOcc 0
17 mol 217 unq 0 iso 0 dist 5.01648 10.7302 9.37602 8.28941 4.64118 7.60269 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.97859 6.10342 4.66186 14.66 5.71717 9.12776 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.97859 6.10342 4.66186 7.80166 10.4706 9.72188 numMergedOcc 0
20 mol 251 unq 0 iso 0 dist 6.96393 9.02132 9.02417 17.3701 13.28 9.82601 numMergedOcc 0
21 mol 251 unq 1 iso 0 dist 6.96393 9.02132 9.02417 14.4322 11.5298 6.50357 numMergedOcc 0
