0 mol 54 unq 0 iso 0 dist 6.77145 9.26475 4.6744 8.47261 6.43516 4.61714 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 6.77145 6.5784 6.00428 8.47261 6.43516 11.7168 numMergedOcc 0
2 mol 54 unq 2 iso 0 dist 4.87397 9.26475 6.0563 8.47261 7.7205 4.61714 numMergedOcc 0
3 mol 54 unq 3 iso 0 dist 4.87397 6.5784 5.77806 8.47261 7.7205 11.7168 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.04935 7.93317 9.59811 6.9297 6.04435 10.7605 numMergedOcc 0
5 mol 79 unq 1 iso 0 dist 9.04935 7.11013 11.9573 6.9297 6.04435 6.49291 numMergedOcc 0
6 mol 79 unq 2 iso 0 dist 9.04935 9.62096 13.9374 6.9297 6.04435 14.7407 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.66549 7.46478 16.1058 5.99046 7.40161 13.3263 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.84466 5.77804 12.5605 6.70158 12.9548 6.42941 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.84466 5.77804 12.5605 7.29701 15.595 6.957 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 9.2948 5.77804 10.878 6.70158 13.6308 6.42941 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 9.2948 5.77804 10.878 7.29701 4.38413 6.957 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.87505 9.02079 4.72188 8.65287 11.0466 7.20197 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 6.28769 9.16053 5.81847 9.29523 6.78733 6.638 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 5.70772 7.9061 4.10092 6.6094 10.7246 10.7872 numMergedOcc 0
15 mol 147 unq 2 iso 0 dist 5.70772 4.48898 4.47436 6.6094 10.7246 7.66774 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.94464 7.82604 6.39513 5.87853 10.0344 6.27947 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 8.94464 8.22583 6.24616 5.87853 10.0344 11.2039 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 8.63713 7.82604 5.70246 5.87853 3.90972 6.27947 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 8.63713 8.22583 14.1913 5.87853 3.90972 11.2039 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 8.92685 6.62037 5.56759 8.83185 8.35127 8.93991 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 8.92685 6.21461 4.43465 8.83185 8.35127 5.35588 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 6.86805 6.41474 10.0609 5.62193 6.00136 6.99137 numMergedOcc 0
23 mol 267 unq 0 iso 0 dist 9.60447 9.18446 13.3347 8.22601 6.80244 11.5479 numMergedOcc 0
24 mol 267 unq 1 iso 0 dist 9.60447 9.18446 13.3347 6.55433 4.36261 10.0939 numMergedOcc 0
25 mol 271 unq 0 iso 0 dist 8.74168 9.37278 5.9833 6.70662 6.15348 6.61638 numMergedOcc 0
26 mol 271 unq 1 iso 0 dist 8.74168 6.71956 8.74529 6.70662 6.15348 4.51983 numMergedOcc 0
