0 mol 2 unq 0 iso 0 dist 5.5745 9.39095 6.81721 4.00237 6.90295 7.2721 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 8.6586 6.7846 10.3497 13.6588 8.25818 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 7.51075 5.57551 10.6721 7.27578 13.5465 7.7485 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.4551 6.46582 3.69293 9.68005 10.985 7.66068 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.4551 6.46582 3.69293 14.6547 12.8435 9.5043 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 6.4551 6.46582 3.69293 14.1202 10.6942 8.34132 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.4545 7.7399 12.2908 12.6706 12.1221 8.10623 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.01176 7.7399 13.6054 12.6706 15.3733 8.10623 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 7.5819 7.33353 10.3949 6.21004 11.7686 8.55237 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.9747 9.68556 13.6536 4.48773 7.92856 6.5816 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 5.22543 6.67863 6.2696 9.54415 12.833 8.19144 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.35636 7.39028 4.56372 9.3283 10.2832 9.51764 numMergedOcc 0
12 mol 109 unq 1 iso 0 dist 8.35636 7.39028 4.56372 3.98588 8.11702 9.29327 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.89481 9.86767 13.0914 5.96967 7.02367 7.02358 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 7.04864 8.03124 3.35803 6.03314 10.2878 9.31385 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 7.04864 8.03124 3.35803 4.74539 6.42623 6.98791 numMergedOcc 0
16 mol 128 unq 0 iso 0 dist 8.01677 5.38983 4.48309 3.81254 10.6551 7.76123 numMergedOcc 0
17 mol 128 unq 1 iso 0 dist 8.01677 5.38983 4.48309 6.13996 9.9416 6.08651 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 9.46833 7.50458 13.9883 4.24401 11.4221 5.10589 numMergedOcc 0
19 mol 169 unq 1 iso 0 dist 9.46833 5.79554 14.8937 4.24401 11.4221 4.63336 numMergedOcc 0
20 mol 169 unq 2 iso 0 dist 9.46833 4.22003 13.4235 4.24401 11.4221 6.10715 numMergedOcc 0
21 mol 176 unq 0 iso 0 dist 7.30954 7.26558 6.40668 3.58164 9.66404 6.85902 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.70279 9.67243 4.14873 9.5606 11.5998 9.64861 numMergedOcc 0
23 mol 232 unq 1 iso 0 dist 9.29752 9.67243 5.61663 9.5606 10.879 9.64861 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 6.44212 5.17335 4.61469 3.71488 4.43499 6.09626 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 9.29635 5.11998 7.75371 7.31817 4.9764 7.98956 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 9.29635 5.11998 7.75371 3.91224 6.36559 5.86185 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 9.29635 5.11998 7.75371 10.8296 11.5669 6.79748 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 9.29635 5.79925 11.3546 10.8296 11.5669 6.53598 numMergedOcc 0
