0 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 15.11 11.887 9.16962 23.4606 18.9645 13.2136 8.82012 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 19.97 11.887 9.16962 24.9748 18.9645 13.2136 8.82012 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.15486 6.58144 6.64012 10.1107 5.24906 6.46761 16.7593 13.497 10.8153 8.63333 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.15486 6.58144 6.64012 10.1107 5.24906 6.46761 15.1621 12.1902 8.62958 8.89374 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 7.15486 6.58144 6.64012 10.1107 5.24906 6.46761 4.98107 9.4099 6.47414 9.73139 numMergedOcc 0
5 mol 58 unq 3 iso 0 dist 7.15486 6.58144 6.64012 5.99959 5.11205 7.58407 9.0406 11.396 11.0466 6.40841 numMergedOcc 0
6 mol 58 unq 4 iso 0 dist 7.15486 6.58144 6.64012 5.99959 5.11205 7.58407 4.98107 9.4099 6.47414 6.31428 numMergedOcc 0
7 mol 58 unq 5 iso 0 dist 7.15486 4.98107 9.4099 10.1107 5.24906 9.73139 16.7593 13.497 14.5953 8.63333 numMergedOcc 0
8 mol 58 unq 6 iso 0 dist 7.15486 4.98107 9.4099 10.1107 5.24906 9.73139 15.1621 12.1902 14.176 8.89374 numMergedOcc 0
9 mol 58 unq 7 iso 0 dist 7.15486 4.98107 9.4099 10.1107 5.24906 9.73139 6.58144 6.64012 6.47414 6.46761 numMergedOcc 0
10 mol 58 unq 8 iso 0 dist 7.15486 4.98107 9.4099 5.99959 5.11205 6.31428 9.0406 11.396 5.90225 6.40841 numMergedOcc 0
11 mol 58 unq 9 iso 0 dist 7.15486 4.98107 9.4099 5.99959 5.11205 6.31428 6.58144 6.64012 6.47414 7.58407 numMergedOcc 0
12 mol 58 unq 10 iso 0 dist 8.52969 9.0406 7.32874 5.99959 6.75888 6.40841 6.58144 13.4544 11.0466 7.58407 numMergedOcc 0
13 mol 58 unq 11 iso 0 dist 8.52969 9.0406 7.32874 5.99959 6.75888 6.40841 4.98107 9.55426 5.90225 6.31428 numMergedOcc 0
14 mol 58 unq 12 iso 0 dist 8.52969 4.98107 9.55426 10.1107 13.1021 9.73139 16.7593 20.7459 14.5953 8.63333 numMergedOcc 0
15 mol 58 unq 13 iso 0 dist 8.52969 4.98107 9.55426 10.1107 13.1021 9.73139 15.1621 20.984 14.176 8.89374 numMergedOcc 0
16 mol 58 unq 14 iso 0 dist 8.52969 4.98107 9.55426 10.1107 13.1021 9.73139 6.58144 13.4544 6.47414 6.46761 numMergedOcc 0
17 mol 58 unq 15 iso 0 dist 8.52969 4.98107 9.55426 5.99959 6.75888 6.31428 9.0406 7.32874 5.90225 6.40841 numMergedOcc 0
18 mol 58 unq 16 iso 0 dist 8.52969 4.98107 9.55426 5.99959 6.75888 6.31428 6.58144 13.4544 6.47414 7.58407 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 5.89394 6.80709 7.4729 10.2494 6.99832 5.81965 11.6211 11.862 5.02055 7.06013 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 5.89394 6.80709 7.4729 10.2494 6.99832 5.81965 6.20561 6.82344 8.95922 9.70512 numMergedOcc 0
21 mol 92 unq 2 iso 0 dist 5.89394 6.20561 6.82344 10.2494 6.99832 9.70512 6.80709 7.4729 8.95922 5.81965 numMergedOcc 0
22 mol 92 unq 3 iso 0 dist 5.89394 6.20561 6.82344 10.2494 6.99832 9.70512 11.6211 11.862 12.4494 7.06013 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 5.09688 12.2879 7.47343 20.0169 15.209 7.75343 16.3282 12.0662 5.88134 6.58204 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 9.26343 16.4386 7.47343 24.1237 15.209 7.75343 19.8126 12.0662 5.88134 6.58204 numMergedOcc 0
25 mol 114 unq 0 iso 0 dist 6.06543 5.51609 7.35754 9.91452 5.33327 8.68821 11.3699 10.473 8.66412 7.12609 numMergedOcc 0
26 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 17.222 10.6679 9.63176 21.1726 16.7981 11.6667 7.39889 numMergedOcc 0
27 mol 119 unq 1 iso 0 dist 8.59784 9.70986 8.73993 17.222 10.6679 9.63176 18.9741 12.6489 12.4603 7.44174 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 8.50904 8.09861 9.0018 14.6406 8.22779 9.8589 10.1323 7.652 7.42466 7.24908 numMergedOcc 0
29 mol 175 unq 1 iso 0 dist 8.50904 10.1323 7.652 14.6406 8.22779 7.24908 8.09861 9.0018 7.42466 9.8589 numMergedOcc 0
30 mol 175 unq 2 iso 0 dist 7.04318 8.09861 5.6234 14.6406 10.5631 9.8589 10.1323 9.92231 7.42466 7.24908 numMergedOcc 0
31 mol 175 unq 3 iso 0 dist 7.04318 10.1323 9.92231 14.6406 10.5631 7.24908 8.09861 5.6234 7.42466 9.8589 numMergedOcc 0
32 mol 214 unq 0 iso 0 dist 6.83122 6.75833 8.85478 6.74861 6.67959 7.46831 14.183 11.9355 10.3105 8.60247 numMergedOcc 0
33 mol 238 unq 0 iso 0 dist 9.82174 10.4397 6.57393 6.54661 6.20606 5.38637 10.1821 11.101 5.42006 6.55759 numMergedOcc 0
34 mol 238 unq 1 iso 0 dist 9.2521 12.8083 6.22714 12.0613 5.17471 7.49471 10.1821 7.31233 5.34096 7.19008 numMergedOcc 0
35 mol 238 unq 2 iso 0 dist 9.2521 10.1821 7.31233 6.54661 10.4664 6.55759 10.4397 10.0756 5.42006 5.38637 numMergedOcc 0
36 mol 238 unq 3 iso 0 dist 9.2521 10.1821 7.31233 8.97261 11.2717 7.02475 11.886 12.4767 12.9854 8.96531 numMergedOcc 0
37 mol 238 unq 4 iso 0 dist 9.2521 10.1821 7.31233 12.0613 5.17471 7.19008 12.8083 6.22714 5.34096 7.49471 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 6.49599 13.8605 7.88519 15.0738 11.6195 7.48005 18.5731 15.9169 12.5353 8.37865 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 9.34738 13.8605 7.84554 15.0738 11.8736 7.48005 18.5731 18.2309 12.5353 8.37865 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 9.47382 13.8605 7.46176 15.0738 5.79468 7.48005 18.5731 11.858 12.5353 8.37865 numMergedOcc 0
41 mol 276 unq 0 iso 0 dist 7.11272 5.75852 6.87396 7.3327 6.4102 8.76347 11.6308 12.3012 8.88126 9.38971 numMergedOcc 0
42 mol 276 unq 1 iso 0 dist 7.11272 5.75852 6.87396 7.3327 6.4102 8.76347 4.73253 10.1395 5.50479 8.71541 numMergedOcc 0
