0 mol 58 unq 0 iso 0 dist 7.15486 7.04193 7.5247 6.58144 6.64012 10.3988 4.98107 9.4099 11.9025 6.47414 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 7.15486 7.04193 7.5247 4.98107 9.4099 11.9025 6.58144 6.64012 10.3988 6.47414 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.15486 8.52969 10.6169 6.58144 6.64012 13.4544 4.98107 9.4099 9.55426 6.47414 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 7.15486 8.52969 10.6169 4.98107 9.4099 9.55426 6.58144 6.64012 13.4544 6.47414 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 8.52969 7.04193 11.6716 11.6772 6.81627 17.1486 9.0406 7.32874 15.108 5.47421 numMergedOcc 0
5 mol 58 unq 2 iso 1 dist 8.52969 7.04193 11.6716 9.0406 7.32874 15.108 11.6772 6.81627 17.1486 5.47421 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 8.52969 7.04193 11.6716 11.6772 6.81627 17.1486 4.98107 9.55426 11.9025 9.7274 numMergedOcc 0
7 mol 58 unq 3 iso 1 dist 8.52969 7.04193 11.6716 4.98107 9.55426 11.9025 11.6772 6.81627 17.1486 9.7274 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 8.52969 7.04193 11.6716 9.0406 7.32874 15.108 4.98107 9.55426 11.9025 5.90225 numMergedOcc 0
9 mol 58 unq 3 iso 1 dist 8.52969 7.04193 11.6716 4.98107 9.55426 11.9025 9.0406 7.32874 15.108 5.90225 numMergedOcc 0
10 mol 58 unq 4 iso 0 dist 8.52969 7.15486 10.6169 11.6772 6.81627 15.2973 9.0406 7.32874 11.396 5.47421 numMergedOcc 0
11 mol 58 unq 4 iso 1 dist 8.52969 7.15486 10.6169 9.0406 7.32874 11.396 11.6772 6.81627 15.2973 5.47421 numMergedOcc 0
12 mol 58 unq 5 iso 0 dist 8.52969 7.15486 10.6169 11.6772 6.81627 15.2973 4.98107 9.55426 9.4099 9.7274 numMergedOcc 0
13 mol 58 unq 5 iso 1 dist 8.52969 7.15486 10.6169 4.98107 9.55426 9.4099 11.6772 6.81627 15.2973 9.7274 numMergedOcc 0
14 mol 58 unq 5 iso 0 dist 8.52969 7.15486 10.6169 9.0406 7.32874 11.396 4.98107 9.55426 9.4099 5.90225 numMergedOcc 0
15 mol 58 unq 5 iso 1 dist 8.52969 7.15486 10.6169 4.98107 9.55426 9.4099 9.0406 7.32874 11.396 5.90225 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 8.97292 6.85083 9.49235 7.2878 6.85766 11.9709 14.1347 7.71095 13.9238 10.0246 numMergedOcc 0
17 mol 59 unq 0 iso 1 dist 8.97292 6.85083 9.49235 14.1347 7.71095 13.9238 7.2878 6.85766 11.9709 10.0246 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 13.666 6.45675 18.696 16.4386 7.47343 19.3587 5.33144 numMergedOcc 0
19 mol 100 unq 0 iso 1 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 13.666 6.45675 18.696 5.33144 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 13.666 6.45675 18.696 15.5646 8.86688 22.0839 9.71151 numMergedOcc 0
21 mol 100 unq 1 iso 1 dist 9.26343 9.91446 13.8729 15.5646 8.86688 22.0839 13.666 6.45675 18.696 9.71151 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 15.5646 8.86688 22.0839 10.1407 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 9.26343 9.91446 13.8729 15.5646 8.86688 22.0839 16.4386 7.47343 19.3587 10.1407 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 7.65229 7.63658 10.838 5.43987 9.60462 11.438 9.7695 7.45389 13.9719 7.05226 numMergedOcc 0
25 mol 112 unq 0 iso 1 dist 7.65229 7.63658 10.838 9.7695 7.45389 13.9719 5.43987 9.60462 11.438 7.05226 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 8.50904 7.04318 6.2715 8.09861 9.0018 5.6234 10.1323 7.652 9.92231 7.42466 numMergedOcc 0
27 mol 175 unq 0 iso 1 dist 8.50904 7.04318 6.2715 10.1323 7.652 9.92231 8.09861 9.0018 5.6234 7.42466 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 7.04318 8.50904 6.2715 8.09861 5.6234 9.0018 10.1323 9.92231 7.652 7.42466 numMergedOcc 0
29 mol 175 unq 1 iso 1 dist 7.04318 8.50904 6.2715 10.1323 9.92231 7.652 8.09861 5.6234 9.0018 7.42466 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.25528 6.96824 11.9017 18.2027 9.1374 20.225 11.4901 5.98885 15.333 8.88798 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 9.25528 6.96824 11.9017 11.4901 5.98885 15.333 18.2027 9.1374 20.225 8.88798 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 18.2027 9.1374 20.225 11.9545 9.15386 14.4936 12.1628 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 9.25528 6.96824 11.9017 11.9545 9.15386 14.4936 18.2027 9.1374 20.225 12.1628 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 11.4901 5.98885 15.333 11.9545 9.15386 14.4936 5.16002 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 9.25528 6.96824 11.9017 11.9545 9.15386 14.4936 11.4901 5.98885 15.333 5.16002 numMergedOcc 0
36 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 14.0488 7.10633 19.1577 7.58285 8.51516 13.8351 10.8344 numMergedOcc 0
37 mol 204 unq 0 iso 1 dist 7.92766 6.32652 12.5143 7.58285 8.51516 13.8351 14.0488 7.10633 19.1577 10.8344 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 9.2521 9.82174 14.0328 12.8083 6.22714 13.1053 10.1821 7.31233 11.101 5.34096 numMergedOcc 0
39 mol 238 unq 0 iso 1 dist 9.2521 9.82174 14.0328 10.1821 7.31233 11.101 12.8083 6.22714 13.1053 5.34096 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 9.2521 8.51359 6.85126 12.8083 6.22714 12.6642 10.1821 7.31233 13.1583 5.34096 numMergedOcc 0
41 mol 238 unq 1 iso 1 dist 9.2521 8.51359 6.85126 10.1821 7.31233 13.1583 12.8083 6.22714 12.6642 5.34096 numMergedOcc 0
42 mol 249 unq 0 iso 0 dist 6.42827 6.93507 8.34718 8.22485 7.57994 11.7594 6.77698 6.18582 12.2913 5.01979 numMergedOcc 0
43 mol 249 unq 0 iso 1 dist 6.42827 6.93507 8.34718 6.77698 6.18582 12.2913 8.22485 7.57994 11.7594 5.01979 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 6.49599 9.34738 4.86771 14.1932 8.13497 9.95973 13.8605 7.88519 7.84554 4.69778 numMergedOcc 0
45 mol 259 unq 0 iso 1 dist 6.49599 9.34738 4.86771 13.8605 7.88519 7.84554 14.1932 8.13497 9.95973 4.69778 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 6.49599 9.47382 6.96053 14.1932 8.13497 10.3935 13.8605 7.88519 7.46176 4.69778 numMergedOcc 0
47 mol 259 unq 1 iso 1 dist 6.49599 9.47382 6.96053 13.8605 7.88519 7.46176 14.1932 8.13497 10.3935 4.69778 numMergedOcc 0
48 mol 261 unq 0 iso 0 dist 7.26647 7.7309 4.63549 4.95196 7.73141 10.0703 9.29412 8.43057 6.05727 10.1239 numMergedOcc 0
49 mol 261 unq 0 iso 1 dist 7.26647 7.7309 4.63549 9.29412 8.43057 6.05727 4.95196 7.73141 10.0703 10.1239 numMergedOcc 0
50 mol 272 unq 0 iso 0 dist 7.66615 7.22438 5.40809 11.4664 9.97651 13.2494 10.3544 8.46116 8.33638 8.12676 numMergedOcc 0
51 mol 272 unq 0 iso 1 dist 7.66615 7.22438 5.40809 10.3544 8.46116 8.33638 11.4664 9.97651 13.2494 8.12676 numMergedOcc 0
