0 mol 14 unq 0 iso 0 dist 9.24546 7.91637 7.68094 4.52143 7.73217 9.58855 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 7.79091 7.91637 6.45626 4.52143 5.99703 9.58855 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 6.86092 7.61675 5.75171 12.1831 12.7909 7.09169 numMergedOcc 0
3 mol 60 unq 0 iso 0 dist 6.76139 8.04921 7.76481 14.6942 16.28 9.96399 numMergedOcc 0
4 mol 60 unq 1 iso 0 dist 6.76139 8.04921 7.76481 8.71681 10.7186 7.55695 numMergedOcc 0
5 mol 60 unq 2 iso 0 dist 6.76139 8.04921 7.76481 6.05904 7.7654 8.82176 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.50028 9.26179 6.88106 14.2704 6.3777 8.03303 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 7.75977 8.99661 10.9332 5.41023 7.11695 6.61823 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 9.93751 5.82495 5.9331 5.43987 12.9747 7.23962 numMergedOcc 0
9 mol 112 unq 1 iso 0 dist 9.93751 5.82495 5.9331 11.3454 14.2317 9.00067 numMergedOcc 0
10 mol 112 unq 2 iso 0 dist 9.93751 5.82495 5.9331 14.3588 13.467 9.89499 numMergedOcc 0
11 mol 112 unq 3 iso 0 dist 9.93751 5.82495 5.9331 9.7695 12.5126 7.30204 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.53862 7.83401 10.1254 6.89903 12.3814 8.56003 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 8.10747 7.77159 4.05716 14.466 11.1939 7.72144 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 7.82113 7.98533 4.94877 6.33907 11.3059 8.57261 numMergedOcc 0
15 mol 203 unq 0 iso 0 dist 9.75662 5.79502 6.21879 4.57363 12.4877 8.72527 numMergedOcc 0
16 mol 203 unq 1 iso 0 dist 9.58178 5.88567 4.58862 5.1145 13.1246 8.72527 numMergedOcc 0
17 mol 203 unq 2 iso 0 dist 9.52542 5.88567 5.82861 5.1145 13.1177 8.72527 numMergedOcc 0
18 mol 203 unq 3 iso 0 dist 9.80432 5.79502 5.82861 4.57363 13.1177 8.72527 numMergedOcc 0
19 mol 203 unq 4 iso 0 dist 6.86448 5.79502 9.00634 4.57363 11.1615 8.72527 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 8.66923 6.52129 10.1787 5.65307 9.83983 5.52379 numMergedOcc 0
21 mol 276 unq 0 iso 0 dist 8.63212 8.96556 7.22265 11.6308 13.4678 6.70215 numMergedOcc 0
22 mol 276 unq 1 iso 0 dist 8.63212 8.96556 7.22265 14.0743 14.3107 7.25423 numMergedOcc 0
23 mol 276 unq 2 iso 0 dist 8.63212 8.96556 7.22265 15.638 12.8499 7.88706 numMergedOcc 0
24 mol 276 unq 3 iso 0 dist 8.63212 8.96556 7.22265 4.73253 10.285 7.23916 numMergedOcc 0
