0 mol 11 unq 0 iso 0 dist 5.34687 13.0425 9.81983 10.2968 6.83186 6.51674 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.54309 7.72643 7.37118 5.3031 4.75881 8.00615 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 8.43668 15.9464 9.90672 11.7522 6.5816 9.43399 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 8.43668 11.1726 7.55367 11.7522 6.5816 3.61204 numMergedOcc 0
4 mol 98 unq 2 iso 0 dist 4.62343 6.00594 9.90672 5.10714 6.5816 9.43399 numMergedOcc 0
5 mol 98 unq 3 iso 0 dist 4.62343 7.97495 7.55367 5.10714 6.5816 3.61204 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 6.49185 10.0962 9.62952 7.5374 7.02358 14.7833 numMergedOcc 0
7 mol 169 unq 0 iso 0 dist 7.95377 13.8417 9.84538 6.57889 5.10589 14.1141 numMergedOcc 0
8 mol 169 unq 1 iso 0 dist 7.95377 13.8417 9.84538 5.83343 4.63336 13.1539 numMergedOcc 0
9 mol 169 unq 2 iso 0 dist 7.95377 13.8417 9.84538 4.39759 6.10715 11.6489 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.90148 13.0289 9.31569 6.02214 7.25595 9.73374 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 6.90148 13.0289 9.31569 12.6188 9.94825 7.47658 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 6.90148 10.2695 8.72743 6.02214 7.25595 14.2269 numMergedOcc 0
13 mol 186 unq 3 iso 0 dist 6.90148 10.2695 8.72743 12.6188 9.94825 9.76301 numMergedOcc 0
14 mol 186 unq 4 iso 0 dist 6.30614 5.96488 9.31569 6.71348 7.25595 9.73374 numMergedOcc 0
15 mol 186 unq 5 iso 0 dist 6.30614 5.96488 9.31569 6.11153 9.94825 7.47658 numMergedOcc 0
16 mol 186 unq 6 iso 0 dist 6.30614 10.3644 8.72743 6.71348 7.25595 14.2269 numMergedOcc 0
17 mol 186 unq 7 iso 0 dist 6.30614 10.3644 8.72743 6.11153 9.94825 9.76301 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 9.00602 14.1738 9.9042 14.9939 8.30069 11.1328 numMergedOcc 0
19 mol 193 unq 1 iso 0 dist 9.00602 14.1738 9.9042 12.3973 8.83551 11.6691 numMergedOcc 0
20 mol 193 unq 2 iso 0 dist 9.00602 5.74998 6.21262 14.9939 8.30069 11.4882 numMergedOcc 0
21 mol 193 unq 3 iso 0 dist 9.00602 5.74998 6.21262 12.3973 8.83551 9.7301 numMergedOcc 0
22 mol 254 unq 0 iso 0 dist 6.3194 9.8094 9.31434 12.4828 7.85841 11.0708 numMergedOcc 0
23 mol 254 unq 1 iso 0 dist 6.3194 9.8094 9.31434 13.1705 9.20109 13.4911 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 3.81829 7.5472 6.18742 10.2903 7.90368 3.78169 numMergedOcc 0
25 mol 281 unq 1 iso 0 dist 3.81829 7.5472 6.18742 9.01939 6.69267 11.7772 numMergedOcc 0
26 mol 281 unq 2 iso 0 dist 4.64792 7.5472 6.8089 7.25409 5.33372 10.3992 numMergedOcc 0
27 mol 281 unq 3 iso 0 dist 4.64792 7.5472 6.8089 9.01939 6.56886 11.7772 numMergedOcc 0
28 mol 281 unq 4 iso 0 dist 4.69609 8.20495 6.18742 8.13312 7.90368 3.78169 numMergedOcc 0
29 mol 281 unq 5 iso 0 dist 4.69609 8.20495 6.18742 5.07206 6.69267 11.7772 numMergedOcc 0
30 mol 281 unq 6 iso 0 dist 6.33927 8.20495 6.8089 11.5417 5.33372 10.3992 numMergedOcc 0
31 mol 281 unq 7 iso 0 dist 6.33927 8.20495 6.8089 5.07206 6.56886 11.7772 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 8.98138 10.1742 9.25759 10.0104 4.68668 5.39801 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 8.98138 10.1742 9.25759 10.0104 4.68668 5.39801 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 8.98138 10.1742 9.25759 10.0104 4.68668 5.39801 numMergedOcc 0
