0 mol 1 unq 0 iso 0 dist 8.61411 9.44115 5.972 6.44928 11.5768 8.56884 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.56648 9.05346 5.1298 4.78943 9.18436 7.03948 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.56648 9.05346 5.1298 5.48395 5.84479 5.47769 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 9.56648 9.05346 5.1298 10.1011 8.67719 6.58035 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 5.70814 8.68726 9.54 10.8906 14.6344 8.24062 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 6.34078 6.94351 5.29167 9.2891 10.9609 6.23899 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.93688 7.57958 5.02124 4.71849 9.514 5.81965 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.93688 7.57958 5.02124 4.32564 7.84888 7.06013 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 9.93688 7.57958 5.02124 13.6329 13.0248 9.70512 numMergedOcc 0
9 mol 99 unq 0 iso 0 dist 5.33644 4.74654 5.17028 7.79079 11.5944 7.72108 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 6.97361 7.90328 5.07584 10.071 11.4822 9.39469 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 6.97361 7.90328 5.07584 5.89399 7.88564 4.76815 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 8.52125 7.90328 7.59628 10.071 13.6378 9.39469 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 8.52125 7.90328 7.59628 5.89399 6.78459 4.76815 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 6.81489 8.0578 9.30367 11.1675 10.5232 7.20326 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 5.28955 9.47892 8.00732 9.58951 11.3088 7.39889 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 5.28955 9.47892 8.00732 18.2257 17.6376 9.63176 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 5.28955 9.47892 8.00732 9.93013 10.517 7.44174 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 5.46716 9.9492 6.50232 9.79072 9.61081 7.31468 numMergedOcc 0
19 mol 143 unq 1 iso 0 dist 5.46716 9.9492 6.50232 5.80488 5.46922 7.7056 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 6.53806 9.16944 5.84938 5.01118 9.70079 9.17284 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 6.53806 9.16944 5.84938 10.1253 9.83554 9.87281 numMergedOcc 0
22 mol 155 unq 2 iso 0 dist 6.53806 9.16944 5.84938 9.88413 7.02715 8.87452 numMergedOcc 0
23 mol 155 unq 3 iso 0 dist 8.47335 9.16944 6.87053 5.01118 10.5286 9.17284 numMergedOcc 0
24 mol 155 unq 4 iso 0 dist 8.47335 9.16944 6.87053 10.1253 14.4558 9.87281 numMergedOcc 0
25 mol 155 unq 5 iso 0 dist 8.47335 9.16944 6.87053 9.88413 12.2162 8.87452 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 6.13872 8.45395 9.80135 9.47799 11.2315 6.94688 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 6.13872 5.41368 4.97806 9.47799 11.2315 6.71012 numMergedOcc 0
28 mol 183 unq 0 iso 0 dist 5.83335 7.42108 6.39381 4.81807 10.4979 9.93083 numMergedOcc 0
29 mol 183 unq 1 iso 0 dist 5.83335 7.42108 6.39381 7.79648 10.6988 7.01383 numMergedOcc 0
30 mol 183 unq 2 iso 0 dist 9.92635 7.42108 16.8061 4.81807 9.34207 9.93083 numMergedOcc 0
31 mol 183 unq 3 iso 0 dist 9.92635 7.42108 16.8061 7.79648 15.8696 7.01383 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 6.50727 8.32685 5.92782 10.5326 11.0336 8.99696 numMergedOcc 0
33 mol 197 unq 1 iso 0 dist 7.84826 6.74777 5.92782 5.29309 11.0336 8.99696 numMergedOcc 0
34 mol 197 unq 2 iso 0 dist 7.56537 9.62514 10.1284 4.57437 8.64255 8.99696 numMergedOcc 0
35 mol 197 unq 3 iso 0 dist 9.89975 9.62514 16.3081 4.57437 10.499 8.99696 numMergedOcc 0
36 mol 218 unq 0 iso 0 dist 6.2441 8.27907 11.0649 10.2817 15.5215 7.18041 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 6.14732 8.82471 6.07589 10.9746 9.18675 5.86443 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 7.99525 7.79085 5.30261 12.6449 11.9642 7.07392 numMergedOcc 0
39 mol 232 unq 1 iso 0 dist 7.99525 7.79085 5.30261 12.0243 14.1969 9.62952 numMergedOcc 0
40 mol 232 unq 2 iso 0 dist 9.20965 6.48753 5.30261 10.0878 11.9642 7.07392 numMergedOcc 0
41 mol 232 unq 3 iso 0 dist 9.20965 6.48753 5.30261 9.58249 14.1969 9.62952 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 9.46728 9.46582 6.23871 9.23693 5.24313 7.67322 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 9.46728 9.77231 10.1372 15.3161 16.8553 9.68513 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 9.46728 9.77231 10.1372 9.18011 16.0821 9.29858 numMergedOcc 0
45 mol 259 unq 0 iso 0 dist 7.97113 8.46351 11.1732 5.59901 10.0766 7.76676 numMergedOcc 0
46 mol 259 unq 1 iso 0 dist 5.22111 8.46351 9.53336 5.59901 9.52383 7.76676 numMergedOcc 0
47 mol 274 unq 0 iso 0 dist 8.26851 8.62431 4.05661 4.56913 6.00877 6.50589 numMergedOcc 0
48 mol 274 unq 1 iso 0 dist 8.14634 8.62431 7.47324 4.56913 8.66451 6.50589 numMergedOcc 0
