0 mol 34 unq 0 iso 0 dist 8.64844 6.97983 6.93364 10.7132 9.31883 3.8237 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.64844 6.97983 6.93364 12.8676 9.475 6.07532 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.64844 6.97983 6.93364 8.77785 8.34011 4.47743 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 8.64844 6.97983 6.93364 9.16728 6.29842 11.418 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 8.64844 10.4068 6.34821 10.7132 9.31883 4.97937 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 8.64844 10.4068 6.34821 12.8676 9.475 3.68737 numMergedOcc 0
6 mol 34 unq 6 iso 0 dist 8.64844 10.4068 6.34821 8.77785 8.34011 3.93021 numMergedOcc 0
7 mol 34 unq 7 iso 0 dist 8.64844 10.4068 6.34821 9.16728 6.29842 11.1366 numMergedOcc 0
8 mol 39 unq 0 iso 0 dist 6.50983 5.70213 8.19733 11.6588 8.55553 11.2159 numMergedOcc 0
9 mol 39 unq 1 iso 0 dist 6.50983 5.70213 8.19733 5.25652 5.00813 8.56189 numMergedOcc 0
10 mol 39 unq 2 iso 0 dist 6.50983 11.2297 8.57165 11.6588 8.55553 11.4688 numMergedOcc 0
11 mol 39 unq 3 iso 0 dist 6.50983 11.2297 8.57165 5.25652 5.00813 7.29013 numMergedOcc 0
12 mol 74 unq 0 iso 0 dist 8.46846 7.09879 8.2657 11.8009 8.42173 8.31102 numMergedOcc 0
13 mol 74 unq 1 iso 0 dist 7.37827 6.37457 8.2657 3.80878 8.42173 8.31102 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 8.52122 8.37101 7.92876 9.37497 4.72339 6.10261 numMergedOcc 0
15 mol 111 unq 1 iso 0 dist 8.52122 8.37101 7.92876 4.38642 6.48902 4.42903 numMergedOcc 0
16 mol 111 unq 2 iso 0 dist 8.52122 8.37101 7.92876 9.20246 7.21505 13.0195 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 9.2746 11.3281 9.87025 6.94754 7.62197 12.2671 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 9.2746 6.21945 5.85818 6.94754 7.62197 3.71283 numMergedOcc 0
19 mol 151 unq 0 iso 0 dist 8.40211 11.5154 5.63814 15.6052 9.06016 4.26123 numMergedOcc 0
20 mol 151 unq 1 iso 0 dist 8.24746 9.34399 5.63814 13.0205 9.06016 4.26123 numMergedOcc 0
21 mol 158 unq 0 iso 0 dist 8.15524 10.1854 6.39981 10.7405 8.06621 5.30823 numMergedOcc 0
22 mol 163 unq 0 iso 0 dist 7.64106 10.9684 8.21476 3.76674 7.69757 11.6682 numMergedOcc 0
23 mol 163 unq 1 iso 0 dist 7.64106 8.9019 7.66897 3.76674 7.69757 7.1982 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 7.98533 7.47532 7.48284 5.20357 6.18257 4.61059 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 8.01082 7.13867 5.42696 9.97098 5.19567 3.72865 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 9.95628 5.52154 7.37935 12.0117 7.79105 10.4239 numMergedOcc 0
27 mol 230 unq 0 iso 0 dist 9.03723 8.36854 8.85215 10.7675 7.83105 4.47722 numMergedOcc 0
28 mol 230 unq 1 iso 0 dist 9.03723 8.36854 8.85215 5.25305 5.63025 9.50055 numMergedOcc 0
29 mol 255 unq 0 iso 0 dist 6.20513 10.4663 6.6475 5.79787 8.56885 12.3928 numMergedOcc 0
30 mol 255 unq 1 iso 0 dist 6.20513 10.4663 6.6475 6.05249 5.54361 5.02523 numMergedOcc 0
31 mol 255 unq 2 iso 0 dist 6.20513 10.4663 6.6475 12.3809 7.73503 6.71212 numMergedOcc 0
32 mol 255 unq 3 iso 0 dist 4.66522 6.29505 6.6475 13.2132 8.56885 12.3928 numMergedOcc 0
33 mol 255 unq 4 iso 0 dist 4.66522 6.29505 6.6475 7.69631 5.54361 5.02523 numMergedOcc 0
34 mol 255 unq 5 iso 0 dist 4.66522 6.29505 6.6475 3.53487 7.73503 6.71212 numMergedOcc 0
35 mol 270 unq 0 iso 0 dist 5.63728 5.66191 7.89335 7.3757 8.38298 9.04304 numMergedOcc 0
36 mol 277 unq 0 iso 0 dist 7.2551 6.4731 6.73126 7.03845 4.61089 6.50127 numMergedOcc 0
