0 mol 0 unq 0 iso 0 dist 6.51408 6.22902 8.84413 8.53102 7.74146 5.79741 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 6.51408 4.80868 7.96742 10.9016 12.7706 7.19397 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 8.53102 6.22902 5.79741 6.51408 7.74146 8.84413 numMergedOcc 0
3 mol 2 unq 0 iso 0 dist 6.60948 10.0512 9.74371 11.7986 6.23988 9.08872 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 6.10226 10.5313 8.0166 5.80034 5.63739 9.32945 numMergedOcc 0
5 mol 7 unq 1 iso 0 dist 6.10226 10.5313 8.0166 9.83056 10.2796 9.90117 numMergedOcc 0
6 mol 7 unq 2 iso 0 dist 5.80034 10.5313 9.32945 6.10226 5.63739 8.0166 numMergedOcc 0
7 mol 7 unq 3 iso 0 dist 5.80034 10.5313 9.32945 9.83056 5.38328 9.90117 numMergedOcc 0
8 mol 7 unq 4 iso 0 dist 9.83056 10.5313 9.90117 6.10226 10.2796 8.0166 numMergedOcc 0
9 mol 7 unq 5 iso 0 dist 9.83056 10.5313 9.90117 5.80034 5.38328 9.32945 numMergedOcc 0
10 mol 12 unq 0 iso 0 dist 9.86138 13.1993 5.9021 21.63 12.3127 8.98466 numMergedOcc 0
11 mol 12 unq 1 iso 0 dist 5.76006 5.77108 5.9021 13.3953 12.3127 8.98466 numMergedOcc 0
12 mol 21 unq 0 iso 0 dist 7.31253 5.38502 6.72231 13.1141 7.62467 9.50179 numMergedOcc 0
13 mol 38 unq 0 iso 0 dist 7.98333 5.39032 7.55357 9.81175 9.56267 5.86972 numMergedOcc 0
14 mol 48 unq 0 iso 0 dist 8.02004 13.2553 6.04551 16.4599 9.46719 6.31161 numMergedOcc 0
15 mol 48 unq 1 iso 0 dist 6.35042 5.28841 6.04551 10.0982 9.46719 6.31161 numMergedOcc 0
16 mol 48 unq 2 iso 0 dist 7.77714 13.11 6.01454 14.2052 8.29103 8.36915 numMergedOcc 0
17 mol 48 unq 3 iso 0 dist 6.46118 4.99432 6.01454 10.7326 8.29103 8.36915 numMergedOcc 0
18 mol 55 unq 0 iso 0 dist 6.71884 12.3731 6.67079 11.0438 5.37162 7.14636 numMergedOcc 0
19 mol 55 unq 1 iso 0 dist 7.8855 13.969 7.14636 11.3956 5.37162 6.67079 numMergedOcc 0
20 mol 55 unq 2 iso 0 dist 9.25575 6.59267 6.67079 9.75286 5.37162 7.14636 numMergedOcc 0
21 mol 55 unq 3 iso 0 dist 8.29508 10.1034 7.14636 12.8135 5.37162 6.67079 numMergedOcc 0
22 mol 64 unq 0 iso 0 dist 5.65519 6.25629 6.17846 12.5445 8.91253 8.14932 numMergedOcc 0
23 mol 108 unq 0 iso 0 dist 6.29966 11.6785 9.32474 11.8797 6.45014 8.80334 numMergedOcc 0
24 mol 108 unq 1 iso 0 dist 9.31725 18.4744 9.32474 14.3038 6.45014 8.80334 numMergedOcc 0
25 mol 108 unq 2 iso 0 dist 9.57358 17.9911 9.32474 14.2858 6.45014 8.80334 numMergedOcc 0
26 mol 108 unq 3 iso 0 dist 5.38329 8.02422 9.32474 7.62421 6.45014 8.80334 numMergedOcc 0
27 mol 108 unq 4 iso 0 dist 7.62421 8.02422 8.80334 5.38329 6.45014 9.32474 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 8.12739 9.30712 6.03184 16.8725 12.0951 8.6609 numMergedOcc 0
29 mol 175 unq 1 iso 0 dist 8.12739 9.30712 6.03184 14.0447 7.01839 6.21546 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 8.83252 6.49969 6.25455 5.95885 5.82281 8.14441 numMergedOcc 0
31 mol 178 unq 1 iso 0 dist 9.56963 7.45885 8.14441 9.7853 5.82281 6.25455 numMergedOcc 0
32 mol 178 unq 2 iso 0 dist 5.95885 6.49969 8.14441 8.83252 5.82281 6.25455 numMergedOcc 0
33 mol 184 unq 0 iso 0 dist 8.57284 9.73725 9.45847 15.0246 17.2664 7.895 numMergedOcc 0
34 mol 184 unq 1 iso 0 dist 5.34832 12.6902 9.45847 19.7409 17.2664 7.895 numMergedOcc 0
35 mol 210 unq 0 iso 0 dist 8.14413 12.3207 6.24111 12.3596 9.07869 8.60412 numMergedOcc 0
36 mol 210 unq 1 iso 0 dist 8.14413 12.2935 9.00343 12.3596 9.07869 7.05535 numMergedOcc 0
37 mol 220 unq 0 iso 0 dist 8.98518 9.07015 8.98362 12.9573 13.3644 7.57716 numMergedOcc 0
38 mol 220 unq 1 iso 0 dist 9.3888 5.58779 8.98362 13.1413 13.3644 7.57716 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 6.86905 5.98533 5.33462 10.9762 4.85921 6.74214 numMergedOcc 0
40 mol 241 unq 0 iso 0 dist 9.744 6.51459 7.41298 7.62827 6.59047 9.99337 numMergedOcc 0
41 mol 241 unq 1 iso 0 dist 7.62827 6.51459 9.99337 9.744 6.59047 7.41298 numMergedOcc 0
42 mol 249 unq 0 iso 0 dist 8.9281 7.05054 6.18866 14.0267 5.2966 9.3807 numMergedOcc 0
43 mol 250 unq 0 iso 0 dist 7.50654 9.84123 8.38141 10.3774 5.01048 5.08366 numMergedOcc 0
44 mol 250 unq 1 iso 0 dist 7.50654 9.84123 8.38141 13.7539 12.269 8.18086 numMergedOcc 0
45 mol 254 unq 0 iso 0 dist 7.80528 5.21462 9.36171 10.9766 8.83027 7.87218 numMergedOcc 0
46 mol 254 unq 1 iso 0 dist 7.80528 8.99739 7.53352 12.9508 5.93819 7.80793 numMergedOcc 0
47 mol 258 unq 0 iso 0 dist 8.8726 4.69752 7.70189 10.6825 9.86352 6.08181 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 8.13376 15.4511 8.91916 10.9643 4.70261 4.55368 numMergedOcc 0
49 mol 266 unq 0 iso 0 dist 7.87939 5.26607 8.61786 12.7807 11.4983 8.42706 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 6.30852 8.34793 9.05509 11.2314 6.17591 8.57733 numMergedOcc 0
51 mol 285 unq 0 iso 0 dist 7.72733 6.85219 8.63954 7.2491 6.55738 4.74716 numMergedOcc 0
52 mol 285 unq 1 iso 0 dist 7.2491 6.85219 4.74716 7.72733 6.55738 8.63954 numMergedOcc 0
53 mol 294 unq 0 iso 0 dist 5.47073 5.29391 5.76337 9.5861 4.46072 9.39625 numMergedOcc 0
54 mol 294 unq 1 iso 0 dist 5.47073 12.3563 8.60441 9.5861 4.46072 6.97558 numMergedOcc 0
