0 mol 0 unq 0 iso 0 dist 8.82102 4.87624 7.65806 12.7597 9.19007 9.64573 10.1748 6.0225 9.72725 6.94943 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 13.3639 6.72502 6.58998 10.1898 5.11636 7.95042 8.24948 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.90845 9.89489 8.38394 13.3639 6.72502 6.59374 10.1898 5.11636 10.9819 8.24948 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.48625 6.34264 7.17396 13.5596 8.64015 11.0904 11.5247 6.08003 12.4823 7.17026 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 6.48625 5.30842 9.21998 13.5596 8.64015 12.9211 11.5247 6.08003 13.2239 7.17026 numMergedOcc 0
5 mol 126 unq 0 iso 0 dist 9.54928 7.01529 6.06638 12.3511 9.46588 5.5703 17.9423 10.7549 11.4624 8.66815 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 13.3078 9.29384 9.32969 16.389 12.6005 14.4508 6.78801 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 10.6416 9.29384 9.32969 16.2309 12.6005 14.4508 6.78801 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.89982 13.2491 8.56324 10.4193 9.77552 9.35627 14.5979 12.4535 14.437 6.92726 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 8.0974 12.2822 6.69288 5.49143 4.92088 10.1489 6.95432 6.42973 7.06025 8.25282 numMergedOcc 0
10 mol 178 unq 1 iso 0 dist 8.0974 12.4338 6.43573 5.49143 4.92088 8.27339 6.95432 6.42973 10.0638 8.25282 numMergedOcc 0
11 mol 178 unq 2 iso 0 dist 8.0974 13.9722 7.17202 5.49143 4.92088 9.79302 6.95432 6.42973 13.2692 8.25282 numMergedOcc 0
12 mol 178 unq 3 iso 0 dist 8.0974 13.5599 8.81551 5.49143 4.92088 8.65097 6.95432 6.42973 15.0672 8.25282 numMergedOcc 0
13 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 7.69431 8.03442 10.2525 11.1592 5.0317 10.7855 9.43618 numMergedOcc 0
14 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 7.69431 8.03442 10.5813 11.1592 5.0317 5.23634 9.43618 numMergedOcc 0
15 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 7.69431 8.03442 7.22396 11.1592 5.0317 6.91318 9.43618 numMergedOcc 0
16 mol 227 unq 3 iso 0 dist 9.17826 10.6504 7.56888 7.69431 8.03442 6.10296 11.1592 5.0317 11.2661 9.43618 numMergedOcc 0
17 mol 227 unq 4 iso 0 dist 9.17826 11.4528 7.55216 7.69431 8.03442 9.69537 11.1592 5.0317 12.3663 9.43618 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 8.49299 6.9602 6.7547 11.9554 6.41286 6.20661 17.5317 9.70574 12.3973 7.07833 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 9.73021 16.5881 8.33025 7.37634 7.50201 11.056 4.54745 7.40852 13.1298 5.9974 numMergedOcc 0
20 mol 252 unq 1 iso 0 dist 9.73021 12.5855 9.2288 7.37634 7.50201 5.23748 4.54745 7.40852 10.5687 5.9974 numMergedOcc 0
21 mol 252 unq 2 iso 0 dist 9.73021 5.26867 7.19638 7.37634 7.50201 7.63376 4.54745 7.40852 7.15764 5.9974 numMergedOcc 0
