0 mol 44 unq 0 iso 0 dist 7.85573 6.10468 6.21423 9.64095 7.42925 4.83412 numMergedOcc 0
1 mol 44 unq 0 iso 1 dist 6.21423 6.10468 7.85573 4.83412 7.42925 9.64095 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.67403 15.8202 7.28917 17.1697 9.32664 10.4547 numMergedOcc 0
3 mol 61 unq 0 iso 1 dist 7.28917 15.8202 9.67403 10.4547 9.32664 17.1697 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 6.23298 5.32316 9.85405 7.29309 9.30836 7.83316 numMergedOcc 0
5 mol 67 unq 0 iso 1 dist 9.85405 5.32316 6.23298 7.83316 9.30836 7.29309 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 6.23298 5.32316 9.85405 4.31746 6.58279 7.58981 numMergedOcc 0
7 mol 67 unq 1 iso 1 dist 9.85405 5.32316 6.23298 7.58981 6.58279 4.31746 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.87177 11.1443 6.70925 4.53047 7.45801 7.05537 numMergedOcc 0
9 mol 73 unq 0 iso 1 dist 6.70925 11.1443 9.87177 7.05537 7.45801 4.53047 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 9.87177 11.1443 6.70925 14.8438 5.30477 7.25285 numMergedOcc 0
11 mol 73 unq 1 iso 1 dist 6.70925 11.1443 9.87177 7.25285 5.30477 14.8438 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.87177 15.9639 8.95756 4.53047 7.45801 11.9468 numMergedOcc 0
13 mol 73 unq 2 iso 1 dist 8.95756 15.9639 9.87177 11.9468 7.45801 4.53047 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 9.87177 15.9639 8.95756 14.8438 5.30477 5.90782 numMergedOcc 0
15 mol 73 unq 3 iso 1 dist 8.95756 15.9639 9.87177 5.90782 5.30477 14.8438 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 6.70925 5.04503 8.95756 7.05537 7.45801 11.9468 numMergedOcc 0
17 mol 73 unq 2 iso 1 dist 8.95756 5.04503 6.70925 11.9468 7.45801 7.05537 numMergedOcc 0
18 mol 73 unq 3 iso 0 dist 6.70925 5.04503 8.95756 7.25285 5.30477 5.90782 numMergedOcc 0
19 mol 73 unq 3 iso 1 dist 8.95756 5.04503 6.70925 5.90782 5.30477 7.25285 numMergedOcc 0
20 mol 73 unq 4 iso 0 dist 8.31624 3.85496 5.68726 6.68853 9.71873 4.79924 numMergedOcc 0
21 mol 73 unq 4 iso 1 dist 5.68726 3.85496 8.31624 4.79924 9.71873 6.68853 numMergedOcc 0
22 mol 73 unq 5 iso 0 dist 8.31624 10.1335 7.46882 6.68853 9.71873 9.80492 numMergedOcc 0
23 mol 73 unq 5 iso 1 dist 7.46882 10.1335 8.31624 9.80492 9.71873 6.68853 numMergedOcc 0
24 mol 73 unq 5 iso 0 dist 5.68726 7.44316 7.46882 4.79924 9.71873 9.80492 numMergedOcc 0
25 mol 73 unq 5 iso 1 dist 7.46882 7.44316 5.68726 9.80492 9.71873 4.79924 numMergedOcc 0
26 mol 92 unq 0 iso 0 dist 9.93688 7.35589 9.88184 11.6798 7.2131 11.0631 numMergedOcc 0
27 mol 92 unq 0 iso 1 dist 9.88184 7.35589 9.93688 11.0631 7.2131 11.6798 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 9.93688 7.35589 9.88184 12.656 7.44343 14.9487 numMergedOcc 0
29 mol 92 unq 1 iso 1 dist 9.88184 7.35589 9.93688 14.9487 7.44343 12.656 numMergedOcc 0
30 mol 108 unq 0 iso 0 dist 5.52402 7.80411 6.79804 5.97199 6.80069 6.62194 numMergedOcc 0
31 mol 108 unq 0 iso 1 dist 6.79804 7.80411 5.52402 6.62194 6.80069 5.97199 numMergedOcc 0
32 mol 128 unq 0 iso 0 dist 5.4772 3.57533 7.84607 6.09348 6.84818 5.5313 numMergedOcc 0
33 mol 128 unq 0 iso 1 dist 7.84607 3.57533 5.4772 5.5313 6.84818 6.09348 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 6.85651 7.57921 7.03858 14.4497 8.70392 9.26708 numMergedOcc 0
35 mol 133 unq 0 iso 1 dist 7.03858 7.57921 6.85651 9.26708 8.70392 14.4497 numMergedOcc 0
36 mol 183 unq 0 iso 0 dist 9.92635 3.75614 7.85507 8.96895 5.5781 6.57004 numMergedOcc 0
37 mol 183 unq 0 iso 1 dist 7.85507 3.75614 9.92635 6.57004 5.5781 8.96895 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.99525 4.19978 9.20965 9.77057 9.92671 9.30551 numMergedOcc 0
39 mol 232 unq 0 iso 1 dist 9.20965 4.19978 7.99525 9.30551 9.92671 9.77057 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 6.11539 9.60695 9.71082 9.74489 6.67239 16.2642 numMergedOcc 0
41 mol 232 unq 1 iso 1 dist 9.71082 9.60695 6.11539 16.2642 6.67239 9.74489 numMergedOcc 0
42 mol 232 unq 2 iso 0 dist 6.11539 9.60695 9.71082 6.70882 6.23146 14.3107 numMergedOcc 0
43 mol 232 unq 2 iso 1 dist 9.71082 9.60695 6.11539 14.3107 6.23146 6.70882 numMergedOcc 0
44 mol 243 unq 0 iso 0 dist 8.89116 6.73236 8.28364 7.31632 5.98438 10.9686 numMergedOcc 0
45 mol 243 unq 0 iso 1 dist 8.28364 6.73236 8.89116 10.9686 5.98438 7.31632 numMergedOcc 0
46 mol 249 unq 0 iso 0 dist 7.279 4.32316 8.43448 4.20164 4.68783 5.93404 numMergedOcc 0
47 mol 249 unq 0 iso 1 dist 8.43448 4.32316 7.279 5.93404 4.68783 4.20164 numMergedOcc 0
48 mol 279 unq 0 iso 0 dist 4.75866 9.52032 7.87072 4.34346 6.12347 6.68035 numMergedOcc 0
49 mol 279 unq 0 iso 1 dist 7.87072 9.52032 4.75866 6.68035 6.12347 4.34346 numMergedOcc 0
50 mol 279 unq 1 iso 0 dist 4.75866 9.52032 7.87072 11.8793 8.79637 4.47851 numMergedOcc 0
51 mol 279 unq 1 iso 1 dist 7.87072 9.52032 4.75866 4.47851 8.79637 11.8793 numMergedOcc 0
