0 mol 26 unq 0 iso 0 dist 8.85591 8.97566 6.70872 5.88467 9.25649 12.8445 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.85591 8.81085 5.47056 5.88467 9.25649 7.84204 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.67576 8.97566 11.2447 5.88467 9.36104 12.8445 numMergedOcc 0
3 mol 26 unq 3 iso 0 dist 9.67576 8.81085 4.63716 5.88467 9.36104 7.84204 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.69215 7.36836 6.88997 11.6013 9.36424 14.1854 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.74389 8.5213 8.12741 10.492 8.80104 16.438 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 7.86269 6.10053 4.67883 4.97513 7.54496 6.18681 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 8.42713 5.10693 12.5638 12.5605 7.85041 17.6028 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.42713 6.58814 12.4215 12.5605 7.85041 18.4528 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 8.42713 6.13459 5.99863 12.5605 7.85041 8.70794 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 8.42713 7.54391 6.15015 12.5605 7.85041 12.2186 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 9.27951 9.58434 9.74634 9.70923 8.43028 16.0919 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 9.27951 9.16089 9.23272 9.70923 8.43028 13.8196 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 7.49024 8.46801 9.46982 8.80709 9.89462 11.8453 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 5.06687 6.81449 3.94083 11.6995 8.12589 11.2534 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 5.09809 6.87593 3.99423 11.8035 8.11592 11.256 numMergedOcc 0
16 mol 151 unq 0 iso 0 dist 5.87912 9.58685 10.247 6.2508 5.63814 12.3421 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 9.2042 6.12278 14.9051 12.9483 7.53158 18.5788 numMergedOcc 0
18 mol 154 unq 1 iso 0 dist 9.2042 6.12278 14.9051 9.90775 7.43407 14.702 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 7.47107 8.76748 14.7863 11.5684 9.77862 15.9976 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.49787 8.61846 11.8893 9.33248 9.51311 15.5305 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 8.05859 7.97614 12.1343 12.734 6.31869 17.834 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 5.63154 5.96259 7.93548 7.73611 8.23056 11.2355 numMergedOcc 0
23 mol 286 unq 0 iso 0 dist 7.3415 8.87916 9.21314 8.56408 8.72146 9.81574 numMergedOcc 0
24 mol 286 unq 1 iso 0 dist 7.3415 8.27359 10.3374 8.56408 8.72146 16.0095 numMergedOcc 0
25 mol 286 unq 2 iso 0 dist 7.3415 8.14957 7.62289 8.56408 8.72146 14.7853 numMergedOcc 0
