0 mol 9 unq 0 iso 0 dist 9.79863 8.77074 14.6739 11.1857 18.6243 8.55446 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.79863 8.77074 14.6739 9.93406 14.3947 6.59455 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 9.79863 8.77074 14.6739 13.0985 16.2483 5.71201 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 8.37063 5.04036 6.00386 6.39939 5.99004 7.98679 numMergedOcc 0
4 mol 13 unq 1 iso 0 dist 6.80844 5.04036 9.78622 6.39939 9.65051 7.98679 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 6.14602 7.03812 10.3047 10.0797 12.9147 7.03307 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 6.14602 7.03812 10.3047 6.29545 10.6308 7.25707 numMergedOcc 0
7 mol 44 unq 2 iso 0 dist 7.41011 7.03812 5.75226 10.0797 5.81645 7.03307 numMergedOcc 0
8 mol 44 unq 3 iso 0 dist 7.41011 7.03812 5.75226 6.29545 6.75026 7.25707 numMergedOcc 0
9 mol 48 unq 0 iso 0 dist 7.52915 9.15304 11.7136 13.7632 17.7677 8.86698 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 6.40355 9.28282 8.88275 5.26304 9.61367 6.66954 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 4.98783 8.95651 12.5077 4.1125 6.48163 9.05259 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.55124 8.42713 12.0188 15.595 18.8208 7.62611 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 7.46875 7.27702 6.3223 4.34786 5.43662 6.48674 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 9.80939 6.4752 8.47507 10.7246 10.9901 7.25644 numMergedOcc 0
15 mol 151 unq 0 iso 0 dist 9.39452 7.06678 7.04946 9.40926 11.7392 4.74531 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 9.9855 5.76772 4.9805 5.04427 10.5691 8.03528 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 8.43256 8.35581 6.49088 5.81984 11.5476 8.05247 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 8.43256 8.35581 6.49088 12.3602 15.2004 9.71028 numMergedOcc 0
19 mol 175 unq 2 iso 0 dist 8.14202 6.72569 6.49088 3.98834 11.5476 8.05247 numMergedOcc 0
20 mol 175 unq 3 iso 0 dist 8.14202 6.72569 6.49088 9.4225 15.2004 9.71028 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.04782 9.91705 14.0208 5.32186 10.2862 9.26796 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 9.08655 7.47107 14.3589 10.7677 17.3905 5.68348 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 6.43775 8.28871 10.1582 14.7332 17.2364 7.21655 numMergedOcc 0
24 mol 286 unq 0 iso 0 dist 9.02971 7.3415 7.34486 5.38595 13.4135 8.69826 numMergedOcc 0
