0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 7.23774 5.73819 5.06502 18.5268 9.49077 9.83618 13.5377 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 10.7423 8.93915 6.45462 18.5268 9.49077 9.83618 13.7177 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.15486 6.58144 6.64012 4.98107 9.4099 6.47414 10.1107 5.24906 6.46761 9.73139 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.15486 6.58144 6.64012 4.98107 9.4099 6.47414 5.99959 5.11205 7.58407 6.31428 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 7.15486 4.98107 9.4099 6.58144 6.64012 6.47414 10.1107 5.24906 9.73139 6.46761 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 7.15486 4.98107 9.4099 6.58144 6.64012 6.47414 5.99959 5.11205 6.31428 7.58407 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 8.52969 9.0406 7.32874 11.6772 6.81627 5.47421 5.99959 6.75888 6.40841 10.335 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 8.52969 9.0406 7.32874 4.98107 9.55426 5.90225 5.99959 6.75888 6.40841 6.31428 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 8.52969 4.98107 9.55426 11.6772 6.81627 9.7274 10.1107 13.1021 9.73139 15.9764 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 8.52969 4.98107 9.55426 11.6772 6.81627 9.7274 5.99959 6.75888 6.31428 10.335 numMergedOcc 0
10 mol 58 unq 8 iso 0 dist 8.52969 4.98107 9.55426 9.0406 7.32874 5.90225 10.1107 13.1021 9.73139 10.9482 numMergedOcc 0
11 mol 58 unq 9 iso 0 dist 8.52969 4.98107 9.55426 9.0406 7.32874 5.90225 5.99959 6.75888 6.31428 6.40841 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 7.67586 11.7065 7.71095 5.03832 6.85766 10.0246 12.8492 5.3525 8.24062 10.6318 numMergedOcc 0
13 mol 59 unq 1 iso 0 dist 8.97292 14.1347 7.71095 7.2878 6.85766 10.0246 10.0237 5.3525 8.24062 10.6318 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 6.20561 6.82344 8.95922 10.2494 6.99832 5.81965 9.70512 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 5.89394 6.20561 6.82344 6.80709 7.4729 8.95922 10.2494 6.99832 9.70512 5.81965 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 9.65979 6.45675 5.33144 20.0169 15.209 7.75343 11.8016 numMergedOcc 0
17 mol 100 unq 1 iso 0 dist 5.09688 12.2879 7.47343 10.2364 8.86688 10.1407 20.0169 15.209 7.75343 15.6924 numMergedOcc 0
18 mol 100 unq 2 iso 0 dist 9.26343 16.4386 7.47343 13.666 6.45675 5.33144 24.1237 15.209 7.75343 11.8016 numMergedOcc 0
19 mol 100 unq 3 iso 0 dist 9.26343 16.4386 7.47343 15.5646 8.86688 10.1407 24.1237 15.209 7.75343 15.6924 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 9.79448 6.02237 9.30299 7.78467 8.14887 7.30196 10.4933 4.77464 9.81878 11.7714 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 10.1323 7.652 7.42466 14.6406 8.22779 9.8589 7.24908 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 8.50904 10.1323 7.652 8.09861 9.0018 7.42466 14.6406 8.22779 7.24908 9.8589 numMergedOcc 0
23 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 10.1323 9.92231 7.42466 14.6406 10.5631 9.8589 7.24908 numMergedOcc 0
24 mol 175 unq 3 iso 0 dist 7.04318 10.1323 9.92231 8.09861 5.6234 7.42466 14.6406 10.5631 7.24908 9.8589 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 11.1264 5.4601 7.20046 10.2276 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 18.2027 9.1374 8.88798 15.1056 10.0524 7.13543 10.7636 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 11.1264 5.4601 7.20046 11.968 numMergedOcc 0
28 mol 181 unq 3 iso 0 dist 9.25528 11.4901 5.98885 11.9545 9.15386 5.16002 15.1056 10.0524 7.13543 11.8099 numMergedOcc 0
29 mol 181 unq 4 iso 0 dist 9.25528 11.9545 9.15386 18.2027 9.1374 12.1628 11.1948 8.25067 9.6668 13.2702 numMergedOcc 0
30 mol 181 unq 5 iso 0 dist 9.25528 11.9545 9.15386 11.4901 5.98885 5.16002 11.1948 8.25067 9.6668 10.8351 numMergedOcc 0
31 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 10.8223 7.00794 5.76246 8.15486 5.71262 8.36822 12.1647 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 6.83122 6.75833 8.85478 9.3424 9.65138 4.40923 6.74861 6.67959 7.46831 10.852 numMergedOcc 0
33 mol 214 unq 1 iso 0 dist 6.83122 6.75833 8.85478 12.2622 7.14453 11.3796 6.74861 6.67959 7.46831 12.6888 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.2521 12.8083 6.22714 10.1821 7.31233 5.34096 12.0613 5.17471 7.49471 7.19008 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 9.2521 10.1821 7.31233 12.8083 6.22714 5.34096 6.54661 10.4664 6.55759 10.5202 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 9.2521 10.1821 7.31233 12.8083 6.22714 5.34096 8.97261 11.2717 7.02475 12.1784 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 9.2521 10.1821 7.31233 12.8083 6.22714 5.34096 13.7887 12.6986 7.67322 12.1937 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 9.2521 10.1821 7.31233 12.8083 6.22714 5.34096 12.0613 5.17471 7.19008 7.49471 numMergedOcc 0
39 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 16.8096 9.2288 8.41807 18.825 9.37715 7.66365 10.165 numMergedOcc 0
40 mol 252 unq 1 iso 0 dist 9.78185 17.5012 8.33025 6.79692 7.19638 14.9102 18.825 9.37715 7.66365 14.7097 numMergedOcc 0
41 mol 259 unq 0 iso 0 dist 6.49599 13.8605 7.88519 14.1932 8.13497 4.69778 15.0738 11.6195 7.48005 10.9591 numMergedOcc 0
