0 mol 18 unq 0 iso 0 dist 6.72533 6.39243 4.96555 5.79834 8.29216 9.1715 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.29216 9.1715 4.96555 5.79834 6.72533 6.39243 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.53564 9.17086 10.323 7.90905 8.58709 15.7652 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 5.90391 6.32012 5.2876 6.74686 8.82771 11.3157 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 6.15118 9.04228 5.23042 5.90603 5.62629 10.7494 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 9.49909 8.40931 7.40093 8.97054 8.37022 12.9423 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.84699 6.10011 8.04817 13.6926 7.53504 15.5212 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 7.84699 8.124 5.2774 13.6926 7.53504 11.801 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 8.40844 6.10011 9.76331 14.5875 7.02351 15.7658 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 8.40844 6.10011 9.76331 13.6926 8.66342 15.5212 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 8.40844 8.124 5.44275 14.5875 7.02351 10.9082 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 8.40844 8.124 5.44275 13.6926 8.66342 11.801 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 6.99156 6.10011 10.4402 13.6926 7.21285 15.5212 numMergedOcc 0
13 mol 73 unq 7 iso 0 dist 6.99156 8.124 8.0624 13.6926 7.21285 11.801 numMergedOcc 0
14 mol 73 unq 8 iso 0 dist 7.02351 8.16299 11.2674 14.5875 8.40844 19.5696 numMergedOcc 0
15 mol 73 unq 9 iso 0 dist 7.02351 8.16299 11.2674 12.3241 8.66342 12.2721 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 6.2491 5.85841 9.30656 5.4823 3.59451 6.78839 numMergedOcc 0
17 mol 98 unq 1 iso 0 dist 6.2491 7.00285 5.39087 5.4823 3.59451 8.02354 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 3.59451 6.78839 9.30656 5.4823 6.2491 5.85841 numMergedOcc 0
19 mol 98 unq 3 iso 0 dist 3.59451 8.02354 5.39087 5.4823 6.2491 7.00285 numMergedOcc 0
20 mol 102 unq 0 iso 0 dist 9.61113 7.42187 13.5433 12.0662 7.73836 17.8525 numMergedOcc 0
21 mol 102 unq 1 iso 0 dist 7.73836 9.84673 6.42572 12.0662 9.61113 12.1389 numMergedOcc 0
22 mol 125 unq 0 iso 0 dist 6.6081 7.76202 6.92879 10.6764 9.64304 13.084 numMergedOcc 0
23 mol 125 unq 1 iso 0 dist 9.64304 6.03557 9.19339 10.6764 6.6081 13.0388 numMergedOcc 0
24 mol 142 unq 0 iso 0 dist 9.5355 7.15087 13.1936 10.9934 5.1557 14.3662 numMergedOcc 0
25 mol 147 unq 0 iso 0 dist 4.95086 6.87299 5.90364 9.54023 8.39524 14.1227 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 6.67598 9.19499 5.0966 14.2743 8.34508 9.97623 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 6.67598 7.11647 5.75141 14.2743 8.34508 13.465 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 8.68767 9.73411 14.3302 5.639 9.92947 14.9108 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 8.68767 7.75485 9.74911 5.639 9.92947 12.048 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 7.7163 7.07564 5.63485 5.51581 9.06201 10.9817 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 7.7163 9.11052 10.3532 5.51581 9.06201 14.3898 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 5.00735 5.62804 7.07028 10.6003 9.27643 10.8539 numMergedOcc 0
33 mol 230 unq 1 iso 0 dist 5.00735 9.3619 11.491 10.6003 9.27643 16.2574 numMergedOcc 0
34 mol 261 unq 0 iso 0 dist 9.56414 9.95681 4.50761 9.90349 9.64886 13.5404 numMergedOcc 0
35 mol 261 unq 1 iso 0 dist 9.56414 9.05762 8.80293 9.90349 9.64886 15.6165 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 8.26695 5.82876 12.0757 6.61591 5.38704 12.0756 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 8.26695 8.71129 16.0765 6.61591 5.38704 14.27 numMergedOcc 0
38 mol 274 unq 2 iso 0 dist 5.59151 5.82876 7.96313 10.1205 7.59956 13.3533 numMergedOcc 0
39 mol 274 unq 3 iso 0 dist 5.59151 5.82876 7.96313 6.61591 8.05503 12.0756 numMergedOcc 0
40 mol 274 unq 4 iso 0 dist 5.59151 8.71129 13.1879 10.1205 7.59956 17.6128 numMergedOcc 0
41 mol 274 unq 5 iso 0 dist 5.59151 8.71129 13.1879 6.61591 8.05503 14.27 numMergedOcc 0
42 mol 279 unq 0 iso 0 dist 8.76889 5.70546 9.36068 6.55493 7.04397 10.974 numMergedOcc 0
