0 mol 9 unq 0 iso 0 dist 5.99711 4.46001 7.25684 5.79505 9.3523 5.77558 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.99711 11.6572 8.22285 5.79505 9.3523 10.5584 numMergedOcc 0
2 mol 13 unq 0 iso 0 dist 5.04036 11.1067 8.00865 6.39939 7.98679 15.907 numMergedOcc 0
3 mol 13 unq 1 iso 0 dist 5.04036 13.4623 9.11447 6.39939 7.98679 15.0129 numMergedOcc 0
4 mol 13 unq 2 iso 0 dist 9.44958 11.4587 8.00865 14.2898 7.98679 15.907 numMergedOcc 0
5 mol 13 unq 3 iso 0 dist 9.44958 4.14738 9.11447 14.2898 7.98679 15.0129 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 7.27883 12.2054 6.93364 9.02863 6.15801 6.45654 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 7.27883 12.2054 6.93364 12.015 9.63403 11.9626 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 7.27883 12.2054 6.93364 4.1203 8.07314 14.1223 numMergedOcc 0
9 mol 34 unq 3 iso 0 dist 7.27883 9.09489 6.34821 9.02863 6.15801 7.35043 numMergedOcc 0
10 mol 34 unq 4 iso 0 dist 7.27883 9.09489 6.34821 12.015 9.63403 13.4874 numMergedOcc 0
11 mol 34 unq 5 iso 0 dist 7.27883 9.09489 6.34821 4.1203 8.07314 12.0754 numMergedOcc 0
12 mol 44 unq 0 iso 0 dist 7.03812 9.60832 9.17518 10.0797 7.03307 9.05795 numMergedOcc 0
13 mol 44 unq 1 iso 0 dist 7.03812 9.60832 9.17518 6.29545 7.25707 6.37181 numMergedOcc 0
14 mol 44 unq 2 iso 0 dist 7.03812 5.27237 8.21833 10.0797 7.03307 11.814 numMergedOcc 0
15 mol 44 unq 3 iso 0 dist 7.03812 5.27237 8.21833 6.29545 7.25707 7.77924 numMergedOcc 0
16 mol 52 unq 0 iso 0 dist 9.46302 8.88127 8.65019 5.51146 9.80143 4.70551 numMergedOcc 0
17 mol 68 unq 0 iso 0 dist 5.74389 10.492 8.80104 6.32283 6.40693 7.66647 numMergedOcc 0
18 mol 90 unq 0 iso 0 dist 7.86269 4.97513 7.54496 6.66441 7.31784 4.48233 numMergedOcc 0
19 mol 93 unq 0 iso 0 dist 8.42713 12.5605 7.85041 15.595 7.62611 6.957 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 8.21032 10.878 7.85041 4.38413 7.62611 6.957 numMergedOcc 0
21 mol 120 unq 0 iso 0 dist 9.27951 9.70923 8.43028 6.71699 6.03352 4.51697 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 6.62468 6.53156 6.82089 12.1443 9.13191 6.08911 numMergedOcc 0
23 mol 130 unq 1 iso 0 dist 6.62468 6.53156 6.82089 11.0466 6.95405 11.562 numMergedOcc 0
24 mol 130 unq 2 iso 0 dist 6.62468 4.72188 5.38314 12.1443 9.13191 10.0581 numMergedOcc 0
25 mol 130 unq 3 iso 0 dist 6.62468 4.72188 5.38314 11.0466 6.95405 7.20197 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 9.19335 10.2495 7.59814 5.21047 7.82544 6.15037 numMergedOcc 0
27 mol 133 unq 1 iso 0 dist 8.5076 4.49984 8.07135 5.21047 6.18808 6.61001 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 8.5076 10.2495 9.7775 5.21047 6.18808 6.15037 numMergedOcc 0
29 mol 147 unq 0 iso 0 dist 6.4752 4.10092 5.1101 10.7246 7.25644 10.7872 numMergedOcc 0
30 mol 147 unq 1 iso 0 dist 6.4752 4.47436 7.01133 10.7246 7.25644 7.66774 numMergedOcc 0
31 mol 151 unq 0 iso 0 dist 5.87912 6.2508 5.63814 3.95051 4.74531 8.3622 numMergedOcc 0
32 mol 151 unq 1 iso 0 dist 7.06678 5.32583 5.63814 9.40926 4.74531 8.3622 numMergedOcc 0
33 mol 158 unq 0 iso 0 dist 6.92225 5.49464 6.39981 4.31531 6.76055 5.42969 numMergedOcc 0
34 mol 158 unq 1 iso 0 dist 6.92225 5.49464 6.39981 9.29425 9.36343 4.77562 numMergedOcc 0
35 mol 163 unq 0 iso 0 dist 8.12896 4.06532 5.92747 10.595 7.8639 6.84883 numMergedOcc 0
36 mol 163 unq 1 iso 0 dist 8.88092 5.93645 5.92747 7.26899 7.8639 6.84883 numMergedOcc 0
37 mol 163 unq 2 iso 0 dist 9.3832 14.7696 8.21476 4.04072 9.79069 15.4471 numMergedOcc 0
38 mol 163 unq 3 iso 0 dist 9.3832 14.7696 8.21476 16.9342 9.27496 9.33755 numMergedOcc 0
39 mol 163 unq 4 iso 0 dist 9.3832 9.55472 7.66897 4.04072 9.79069 9.54216 numMergedOcc 0
40 mol 163 unq 5 iso 0 dist 9.3832 9.55472 7.66897 16.9342 9.27496 10.7572 numMergedOcc 0
41 mol 163 unq 6 iso 0 dist 6.0247 6.00005 8.21476 12.5525 9.79069 15.4471 numMergedOcc 0
42 mol 163 unq 7 iso 0 dist 6.0247 6.00005 8.21476 4.37572 9.27496 9.33755 numMergedOcc 0
43 mol 163 unq 8 iso 0 dist 6.0247 6.69711 7.66897 12.5525 9.79069 9.54216 numMergedOcc 0
44 mol 163 unq 9 iso 0 dist 6.0247 6.69711 7.66897 4.37572 9.27496 10.7572 numMergedOcc 0
45 mol 163 unq 10 iso 0 dist 6.40873 9.09427 8.21476 8.81556 9.79069 15.4471 numMergedOcc 0
46 mol 163 unq 11 iso 0 dist 6.40873 9.09427 8.21476 7.05786 9.27496 9.33755 numMergedOcc 0
47 mol 163 unq 12 iso 0 dist 6.40873 5.45003 7.66897 8.81556 9.79069 9.54216 numMergedOcc 0
48 mol 163 unq 13 iso 0 dist 6.40873 5.45003 7.66897 7.05786 9.27496 10.7572 numMergedOcc 0
49 mol 175 unq 0 iso 0 dist 9.12296 10.3187 7.01126 11.6344 5.89564 4.30489 numMergedOcc 0
50 mol 175 unq 1 iso 0 dist 9.12296 10.3187 7.01126 5.96987 5.60528 4.57622 numMergedOcc 0
51 mol 181 unq 0 iso 0 dist 9.91705 6.24616 5.49808 5.32186 9.26796 4.46559 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 9.91705 12.5567 7.96291 5.32186 9.26796 9.08227 numMergedOcc 0
53 mol 181 unq 2 iso 0 dist 7.92476 5.56759 5.49808 6.26838 9.26796 4.46559 numMergedOcc 0
54 mol 181 unq 3 iso 0 dist 7.92476 4.43465 7.96291 6.26838 9.26796 9.08227 numMergedOcc 0
55 mol 194 unq 0 iso 0 dist 7.47107 11.5684 9.77862 10.7677 5.68348 5.63279 numMergedOcc 0
56 mol 213 unq 0 iso 0 dist 8.91912 6.58235 7.37935 9.37425 8.42053 9.84448 numMergedOcc 0
57 mol 225 unq 0 iso 0 dist 8.28454 8.59036 7.29542 14.1101 9.23935 9.51752 numMergedOcc 0
58 mol 225 unq 1 iso 0 dist 8.28454 8.59036 7.29542 12.969 7.77552 10.9596 numMergedOcc 0
59 mol 239 unq 0 iso 0 dist 8.81373 6.0331 7.18771 4.13135 5.0804 5.2908 numMergedOcc 0
60 mol 239 unq 1 iso 0 dist 8.81373 4.9045 7.94894 4.13135 5.0804 5.91881 numMergedOcc 0
61 mol 243 unq 0 iso 0 dist 5.66593 4.12468 6.01071 5.40441 7.44706 4.78857 numMergedOcc 0
62 mol 264 unq 0 iso 0 dist 8.28871 9.63193 9.42738 14.7332 7.21655 10.6815 numMergedOcc 0
63 mol 264 unq 1 iso 0 dist 7.94668 12.2052 9.42738 10.3515 7.21655 10.6815 numMergedOcc 0
64 mol 272 unq 0 iso 0 dist 8.36282 10.5255 7.55161 10.2848 9.18635 12.015 numMergedOcc 0
65 mol 277 unq 0 iso 0 dist 5.70326 7.49914 6.73126 9.45482 8.81717 9.00644 numMergedOcc 0
66 mol 279 unq 0 iso 0 dist 5.63154 7.73611 8.23056 11.7377 9.30921 6.29016 numMergedOcc 0
67 mol 286 unq 0 iso 0 dist 7.3415 8.56408 8.72146 5.38595 8.69826 5.86348 numMergedOcc 0
