0 mol 54 unq 0 iso 0 dist 5.0478 10.8539 9.20373 6.43082 6.14538 15.0205 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 5.39827 9.60458 5.67362 11.1921 9.25641 5.46309 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.14607 6.56112 8.38855 5.19333 7.26024 8.36943 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 7.38868 6.29707 8.38855 5.57159 7.26024 8.36943 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 7.43804 10.991 8.48678 13.2064 6.7117 13.9683 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 7.43804 10.991 8.48678 5.65902 4.47349 11.0642 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 7.43804 10.991 8.48678 7.85074 5.65185 7.71768 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.79499 7.34665 7.1754 9.85867 7.80975 7.77542 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 8.79499 7.34665 7.1754 6.6854 7.10378 11.0907 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.10479 10.0595 9.57532 8.43108 9.23858 12.1367 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.10479 12.3404 8.61574 8.43108 9.23858 10.5726 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.97467 13.9009 8.32841 15.2799 9.00416 10.9993 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 6.97467 11.549 6.56065 15.2799 9.00416 4.75264 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.01369 3.88154 5.77158 8.18892 7.66165 5.87924 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.21588 10.0976 6.62013 7.58285 7.32294 7.24163 numMergedOcc 0
15 mol 226 unq 0 iso 0 dist 9.20651 5.27976 6.82883 12.9835 8.80683 12.6212 numMergedOcc 0
16 mol 226 unq 1 iso 0 dist 9.20651 5.27976 6.82883 13.1572 6.11704 10.78 numMergedOcc 0
17 mol 226 unq 2 iso 0 dist 9.20651 4.67471 8.22518 12.9835 8.80683 9.83787 numMergedOcc 0
18 mol 226 unq 3 iso 0 dist 9.20651 4.67471 8.22518 13.1572 6.11704 11.3247 numMergedOcc 0
19 mol 226 unq 4 iso 0 dist 9.20651 13.1475 6.02803 12.9835 8.80683 6.6871 numMergedOcc 0
20 mol 226 unq 5 iso 0 dist 9.20651 13.1475 6.02803 13.1572 6.11704 6.19485 numMergedOcc 0
21 mol 227 unq 0 iso 0 dist 5.87056 5.92389 9.90065 6.78651 7.43071 9.69354 numMergedOcc 0
22 mol 227 unq 1 iso 0 dist 5.87056 5.92389 9.90065 6.02375 6.02296 7.00512 numMergedOcc 0
23 mol 227 unq 2 iso 0 dist 9.84311 7.61598 6.65275 6.78651 5.41321 5.841 numMergedOcc 0
24 mol 227 unq 3 iso 0 dist 9.55881 4.92852 9.90065 12.6389 7.43071 9.69354 numMergedOcc 0
25 mol 227 unq 4 iso 0 dist 9.55881 4.92852 9.90065 9.50847 6.02296 7.00512 numMergedOcc 0
26 mol 284 unq 0 iso 0 dist 5.61727 7.07777 5.24993 10.5879 6.78191 5.87119 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 5.62568 4.64631 8.53802 10.7971 6.89451 14.2602 numMergedOcc 0
28 mol 287 unq 1 iso 0 dist 8.82948 16.9403 8.53802 6.27066 6.89451 14.2602 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 5.62568 4.64631 8.53802 10.7971 6.89451 14.2602 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 8.82948 16.9403 8.53802 6.27066 6.89451 14.2602 numMergedOcc 0
31 mol 289 unq 0 iso 0 dist 5.62568 4.64631 8.53802 10.7971 6.89451 14.2602 numMergedOcc 0
32 mol 289 unq 1 iso 0 dist 8.82948 16.9403 8.53802 6.27066 6.89451 14.2602 numMergedOcc 0
