0 mol 0 unq 0 iso 0 dist 7.79297 11.7303 7.65806 9.17475 7.46173 6.50942 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 6.66818 8.92291 5.54797 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.06275 5.5249 8.80331 10.8481 6.79185 11.1338 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.06275 10.4413 6.20293 10.8481 6.79185 5.54797 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.90024 13.9129 8.80331 6.66818 6.79185 11.1338 numMergedOcc 0
5 mol 43 unq 4 iso 0 dist 8.90024 5.84171 6.20293 6.66818 6.79185 5.54797 numMergedOcc 0
6 mol 43 unq 5 iso 0 dist 6.78532 5.84171 8.93915 6.66818 8.37962 5.54797 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 12.6797 8.96978 8.39969 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 12.6797 8.96978 4.45372 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 9.37751 9.30021 10.4545 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 9.37751 9.30021 12.3178 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.61812 11.5079 8.87449 9.18537 4.5985 5.1283 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 13.7186 8.57673 5.05071 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.66715 14.0905 7.11802 12.9222 9.64695 6.56917 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.00172 13.2145 6.29155 12.9222 4.51266 5.47259 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 9.00172 15.719 6.80239 12.9222 4.51266 4.70102 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 9.00172 14.0905 8.00618 12.9222 4.51266 6.56917 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 8.95433 11.0811 7.11802 12.5445 9.64695 6.56917 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 7.70631 12.7195 8.56633 15.4811 8.02386 8.98864 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 7.70631 12.7195 8.56633 7.35039 6.6259 6.24432 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 6.88694 6.52416 7.03423 10.7974 7.38552 5.31837 numMergedOcc 0
21 mol 229 unq 1 iso 0 dist 6.88694 11.1919 9.06952 10.7974 7.38552 4.74734 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 8.82778 11.4665 6.16342 7.87346 6.8597 9.26426 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 5.04646 6.92434 5.87456 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 9.13226 10.7073 7.56915 13.7104 6.93875 8.83823 numMergedOcc 0
25 mol 274 unq 2 iso 0 dist 9.13226 10.7073 7.56915 15.0989 6.0868 9.51441 numMergedOcc 0
26 mol 274 unq 3 iso 0 dist 9.13226 10.7073 7.56915 14.8539 6.32856 11.5556 numMergedOcc 0
27 mol 274 unq 4 iso 0 dist 9.13226 11.3302 8.49997 5.04646 6.92434 8.58007 numMergedOcc 0
28 mol 274 unq 5 iso 0 dist 9.13226 11.3302 8.49997 13.7104 6.93875 5.66046 numMergedOcc 0
29 mol 274 unq 6 iso 0 dist 9.13226 11.3302 8.49997 15.0989 6.0868 10.1323 numMergedOcc 0
30 mol 274 unq 7 iso 0 dist 9.13226 11.3302 8.49997 14.8539 6.32856 13.5073 numMergedOcc 0
