0 mol 15 unq 0 iso 0 dist 7.87072 6.19695 4.47278 5.00898 9.84805 6.31608 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 6.84727 8.44037 5.09467 15.7371 10.0685 8.26398 numMergedOcc 0
2 mol 18 unq 0 iso 0 dist 4.70023 9.04157 10.7484 13.9547 16.2853 7.94376 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 6.53312 5.98169 10.6136 4.16414 9.45334 5.19518 numMergedOcc 0
4 mol 28 unq 1 iso 0 dist 5.9948 7.423 13.0183 11.4741 17.1957 8.69709 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.99618 6.45955 9.93156 9.60691 17.0623 8.99536 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 8.99618 6.45955 9.93156 6.20826 11.5764 5.94317 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 4.3761 5.61418 9.39313 10.8137 12.3507 7.54574 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 6.31509 5.91023 4.48773 11.5585 13.8961 9.90672 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 6.31509 5.91023 4.48773 6.1745 9.25249 7.55367 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 6.14782 5.91023 3.8493 11.5585 10.5042 9.90672 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 6.14782 5.91023 3.8493 6.1745 10.3592 7.55367 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 8.49806 5.91023 3.78499 11.5585 13.1142 9.90672 numMergedOcc 0
13 mol 98 unq 6 iso 0 dist 8.49806 5.91023 3.78499 6.1745 8.41411 7.55367 numMergedOcc 0
14 mol 98 unq 7 iso 0 dist 5.84583 5.61418 6.66668 10.8137 12.2703 7.54574 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 6.28645 9.00481 7.1034 7.02101 9.09263 7.40338 numMergedOcc 0
16 mol 113 unq 1 iso 0 dist 6.28645 9.00481 7.1034 5.95402 5.37302 6.23759 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.08733 6.66313 3.80816 10.2818 8.4733 6.21165 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 4.90449 6.3646 3.80816 10.6827 8.4733 6.21165 numMergedOcc 0
19 mol 135 unq 0 iso 0 dist 6.1777 6.08242 3.47015 4.75453 5.43728 7.02963 numMergedOcc 0
20 mol 135 unq 1 iso 0 dist 6.29701 5.60595 3.47015 4.14325 5.43728 7.02963 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 6.57161 9.3206 7.16323 7.21295 9.43938 7.85698 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 6.57161 9.3206 7.16323 6.08318 5.51388 6.35799 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 9.75853 8.19926 8.26669 6.73937 14.8919 9.31569 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 9.75853 8.19926 8.26669 15.8935 15.5743 8.72743 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 4.76689 7.22473 3.48905 4.48112 5.68717 6.49413 numMergedOcc 0
26 mol 260 unq 1 iso 0 dist 4.76689 6.02628 3.43711 4.48112 5.68717 6.12343 numMergedOcc 0
27 mol 260 unq 2 iso 0 dist 7.26455 7.22473 7.46252 4.48112 10.4213 6.49413 numMergedOcc 0
28 mol 260 unq 3 iso 0 dist 7.26455 6.02628 7.63469 4.48112 10.4213 6.12343 numMergedOcc 0
29 mol 260 unq 4 iso 0 dist 8.79012 7.13397 3.48905 5.72956 5.68717 6.49413 numMergedOcc 0
30 mol 260 unq 5 iso 0 dist 8.79012 5.33278 8.84611 5.72956 5.68717 4.52405 numMergedOcc 0
31 mol 292 unq 0 iso 0 dist 6.38051 4.97488 5.55248 4.59906 10.0972 5.91617 numMergedOcc 0
