0 mol 0 unq 0 iso 0 dist 6.99269 7.70666 8.82102 12.8405 9.67081 8.21826 numMergedOcc 0
1 mol 81 unq 0 iso 0 dist 9.45426 11.7817 9.35818 10.525 5.51927 7.4961 numMergedOcc 0
2 mol 81 unq 1 iso 0 dist 6.17316 8.02275 9.35818 8.676 5.51927 7.4961 numMergedOcc 0
3 mol 110 unq 0 iso 0 dist 8.89591 7.29426 5.25492 5.31766 9.10911 7.32685 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 8.79611 7.10422 8.42147 6.4659 9.06601 10.3018 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 8.79611 7.10422 8.42147 4.33993 5.98809 4.88926 numMergedOcc 0
6 mol 111 unq 2 iso 0 dist 6.20845 8.7295 8.42147 8.74843 9.06601 10.3018 numMergedOcc 0
7 mol 111 unq 3 iso 0 dist 6.20845 8.7295 8.42147 3.8652 5.98809 4.88926 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.46144 14.7769 8.42445 3.4175 9.93438 13.1958 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 9.82508 14.8565 8.97145 10.705 8.80895 5.51548 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 9.82508 10.1604 6.5874 10.705 8.80895 5.61122 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 9.91541 9.33255 9.00898 6.78721 9.19156 10.8953 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 5.4116 10.7861 8.43584 5.65704 9.31158 14.8213 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 5.33408 6.3228 4.58599 14.0479 9.09354 10.5963 numMergedOcc 0
14 mol 213 unq 1 iso 0 dist 5.33408 6.3228 4.58599 3.83534 4.66576 5.36904 numMergedOcc 0
15 mol 213 unq 2 iso 0 dist 5.33408 7.30431 8.78568 14.0479 9.09354 13.711 numMergedOcc 0
16 mol 213 unq 3 iso 0 dist 5.33408 7.30431 8.78568 3.83534 4.66576 4.84414 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 8.51965 9.49505 9.59213 7.56602 8.54108 13.876 numMergedOcc 0
18 mol 265 unq 1 iso 0 dist 7.50935 9.32359 8.1498 7.65457 9.28128 8.3919 numMergedOcc 0
19 mol 265 unq 2 iso 0 dist 4.32723 5.21097 8.1498 8.65 9.28128 8.3919 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 6.93959 10.1778 8.71213 6.42907 6.71946 3.97296 numMergedOcc 0
21 mol 285 unq 1 iso 0 dist 6.93959 10.1778 8.71213 9.45764 8.28061 11.6681 numMergedOcc 0
22 mol 285 unq 2 iso 0 dist 6.93959 10.1778 8.71213 5.62003 5.03601 10.6606 numMergedOcc 0
23 mol 285 unq 3 iso 0 dist 8.25984 13.4 8.71213 10.5527 6.71946 3.97296 numMergedOcc 0
24 mol 285 unq 4 iso 0 dist 8.25984 13.4 8.71213 13.7336 8.28061 11.6681 numMergedOcc 0
25 mol 285 unq 5 iso 0 dist 8.25984 13.4 8.71213 9.20863 5.03601 10.6606 numMergedOcc 0
