0 mol 29 unq 0 iso 0 dist 9.42943 9.39717 10.2234 9.56672 8.02446 3.60586 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 9.42943 9.39717 10.2234 8.00338 11.4567 5.99096 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 7.83159 7.54919 11.037 6.29801 5.67799 5.88927 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.01128 9.66226 16.0932 5.61418 4.05759 13.4478 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 8.2592 6.37224 7.15509 7.91691 11.5904 9.33661 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 9.66306 6.50614 10.1606 6.84006 7.47617 4.26413 numMergedOcc 0
6 mol 120 unq 1 iso 0 dist 9.66306 9.2903 5.30162 6.84006 7.47617 3.64386 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 9.22453 9.06613 6.43849 9.93616 9.58657 14.3062 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 6.8754 8.80059 10.8621 8.47439 8.64743 3.73181 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 5.17005 8.96031 10.522 7.82717 4.25519 14.0517 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 5.17005 8.96031 10.522 8.19926 6.35206 16.0263 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 5.17005 8.96031 10.522 9.02402 10.6883 4.4787 numMergedOcc 0
12 mol 252 unq 0 iso 0 dist 9.19372 6.7021 5.53685 4.15692 8.56684 3.99887 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 8.94629 9.43704 7.15953 8.86773 14.159 9.10894 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 8.94629 9.43704 7.15953 8.95095 9.93118 7.26991 numMergedOcc 0
15 mol 258 unq 2 iso 0 dist 8.94629 7.41653 8.01004 8.86773 14.159 13.163 numMergedOcc 0
16 mol 258 unq 3 iso 0 dist 8.94629 7.41653 8.01004 8.95095 9.93118 14.0247 numMergedOcc 0
17 mol 266 unq 0 iso 0 dist 9.62474 6.99089 13.5822 7.51951 10.1478 4.72338 numMergedOcc 0
18 mol 266 unq 1 iso 0 dist 8.01441 6.99089 4.76167 7.51951 8.68515 4.72338 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 8.7902 8.2053 7.64059 7.58381 5.23221 6.1459 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 7.61141 8.2053 14.3613 7.58381 12.9548 6.1459 numMergedOcc 0
21 mol 284 unq 0 iso 0 dist 9.5276 9.95662 13.0938 5.06373 4.93279 9.94624 numMergedOcc 0
