0 mol 63 unq 0 iso 0 dist 8.33405 5.71858 9.18651 9.36667 9.13228 7.17611 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.85325 8.83086 5.19407 10.2533 6.79423 4.61081 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 5.58102 5.37488 5.85622 4.77009 6.5816 8.09756 numMergedOcc 0
3 mol 101 unq 0 iso 0 dist 9.05284 4.45934 6.54699 7.47175 8.19144 4.80201 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 7.09988 14.9335 9.4238 7.96442 8.88124 17.9309 numMergedOcc 0
5 mol 107 unq 1 iso 0 dist 7.09988 14.9335 9.4238 14.3565 8.19484 8.0395 numMergedOcc 0
6 mol 107 unq 2 iso 0 dist 7.73898 14.8635 9.4238 6.37998 8.88124 17.9309 numMergedOcc 0
7 mol 107 unq 3 iso 0 dist 7.73898 14.8635 9.4238 11.5335 8.19484 8.0395 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 9.83758 5.3644 8.69371 11.2375 4.91212 9.05868 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 9.83758 5.3644 8.69371 6.87591 9.34782 9.16288 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.60192 4.60029 9.22398 7.33656 5.86379 8.51521 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 9.60192 4.60029 9.22398 10.5073 6.21029 11.3635 numMergedOcc 0
12 mol 116 unq 0 iso 0 dist 8.83566 4.39917 7.70636 6.28158 6.55227 4.13866 numMergedOcc 0
13 mol 116 unq 1 iso 0 dist 8.83566 7.43565 6.82267 6.28158 6.55227 10.1108 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 5.96324 6.35915 7.43045 6.34139 5.60448 5.76787 numMergedOcc 0
15 mol 193 unq 0 iso 0 dist 8.29723 13.8145 6.10013 14.1573 8.30069 4.40965 numMergedOcc 0
16 mol 193 unq 1 iso 0 dist 8.29723 13.8145 6.10013 13.7342 8.83551 6.04442 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 9.32969 9.68942 7.26295 7.35757 5.10542 3.64489 numMergedOcc 0
18 mol 260 unq 0 iso 0 dist 8.90109 7.3067 4.20369 8.71923 7.04263 5.76999 numMergedOcc 0
19 mol 268 unq 0 iso 0 dist 8.24792 5.2452 5.01283 7.87564 9.52476 7.56592 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 5.93983 14.0493 8.38399 8.32005 5.88958 12.0007 numMergedOcc 0
21 mol 285 unq 1 iso 0 dist 5.93983 14.0493 8.38399 7.07384 7.78121 15.0759 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 8.06614 7.14449 8.27039 7.34358 8.07775 3.77627 numMergedOcc 0
