0 mol 0 unq 0 iso 0 dist 9.16606 5.98788 13.0422 8.65478 13.4692 3.59834 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 5.39008 6.10734 5.12621 9.97548 10.0612 8.93987 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 8.24422 9.86409 5.81701 5.75809 8.89273 7.57437 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 8.99724 9.86409 8.89091 5.75809 8.10455 7.57437 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 8.67141 6.67079 4.57655 6.38271 6.13409 3.28726 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 4.50643 8.71284 11.137 9.36493 9.45561 7.83556 numMergedOcc 0
6 mol 34 unq 1 iso 0 dist 4.50643 8.71284 11.137 9.0665 8.57695 6.59793 numMergedOcc 0
7 mol 34 unq 2 iso 0 dist 4.50643 8.71284 11.137 7.07773 9.30664 9.10687 numMergedOcc 0
8 mol 36 unq 0 iso 0 dist 6.63518 9.16388 5.39321 7.00857 6.28198 3.58776 numMergedOcc 0
9 mol 39 unq 0 iso 0 dist 8.86053 9.70029 14.0851 8.82943 10.8914 10.7337 numMergedOcc 0
10 mol 39 unq 1 iso 0 dist 8.76925 9.70029 6.8989 8.82943 13.1234 10.7337 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 7.67459 8.74005 8.59948 7.80117 3.83842 5.29574 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.29755 9.57335 9.58891 9.63616 15.2635 17.4558 numMergedOcc 0
13 mol 54 unq 1 iso 0 dist 6.29755 8.60653 11.1253 9.63616 15.2635 14.2852 numMergedOcc 0
14 mol 54 unq 2 iso 0 dist 7.4038 9.57335 7.573 9.63616 16.9039 17.4558 numMergedOcc 0
15 mol 54 unq 3 iso 0 dist 7.4038 8.60653 10.063 9.63616 16.9039 14.2852 numMergedOcc 0
16 mol 96 unq 0 iso 0 dist 9.06717 9.92798 8.5743 7.68964 9.28941 7.95162 numMergedOcc 0
17 mol 96 unq 1 iso 0 dist 9.579 9.92798 4.0331 7.68964 9.9118 7.95162 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 7.88143 6.04768 12.9271 8.73798 13.2666 10.256 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 6.62952 6.04768 12.2431 8.73798 8.734 10.256 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 4.3521 9.40173 12.2431 5.24616 8.734 10.256 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 8.5614 7.38183 9.5453 4.93944 6.1672 3.80763 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 6.86189 5.76862 4.97346 6.1247 6.89677 4.03185 numMergedOcc 0
23 mol 154 unq 1 iso 0 dist 6.86189 5.92763 8.02758 6.1247 6.89677 9.94519 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 8.49577 6.65725 8.87236 9.511 6.83738 4.79971 numMergedOcc 0
25 mol 184 unq 1 iso 0 dist 8.49577 6.65725 8.87236 7.72354 4.57656 5.05856 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 7.6409 8.09667 4.93748 7.62945 5.28021 5.39534 numMergedOcc 0
27 mol 193 unq 0 iso 0 dist 8.71993 6.28889 9.08423 6.10013 4.8988 6.18551 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 8.94889 8.78652 4.36112 8.44451 7.85817 5.88175 numMergedOcc 0
29 mol 210 unq 1 iso 0 dist 8.94889 9.01437 10.7545 8.44451 7.85817 9.89707 numMergedOcc 0
30 mol 233 unq 0 iso 0 dist 9.53639 8.76329 6.33637 5.22629 4.93324 5.24709 numMergedOcc 0
31 mol 233 unq 1 iso 0 dist 9.53639 9.91906 4.21435 5.22629 4.93324 6.28883 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 8.00841 9.14228 9.30696 9.87415 8.58146 16.0653 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 8.51994 7.10052 8.632 5.76793 6.55422 5.21917 numMergedOcc 0
34 mol 279 unq 1 iso 0 dist 8.51994 7.10052 8.632 7.72276 6.12997 9.79726 numMergedOcc 0
35 mol 281 unq 0 iso 0 dist 7.76659 9.81562 5.07985 9.04679 6.93787 5.31724 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 7.58907 8.53802 5.1517 9.2144 9.21351 5.9468 numMergedOcc 0
37 mol 287 unq 1 iso 0 dist 7.58907 8.53802 5.1517 8.36585 4.96187 3.63993 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 7.58907 8.53802 5.1517 9.2144 9.21351 5.9468 numMergedOcc 0
39 mol 288 unq 1 iso 0 dist 7.58907 8.53802 5.1517 8.36585 4.96187 3.63993 numMergedOcc 0
40 mol 289 unq 0 iso 0 dist 7.58907 8.53802 5.1517 9.2144 9.21351 5.9468 numMergedOcc 0
41 mol 289 unq 1 iso 0 dist 7.58907 8.53802 5.1517 8.36585 4.96187 3.63993 numMergedOcc 0
