0 mol 8 unq 0 iso 0 dist 5.41248 4.92734 7.36147 7.0822 8.79697 8.33604 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.0346 9.00543 9.81889 7.97051 13.4728 7.00648 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.86053 5.00126 8.20173 6.37567 14.2478 7.33969 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 8.86053 5.00126 8.20173 5.92759 11.9214 7.45237 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 8.76925 5.00126 8.11238 6.37567 9.22231 7.33969 numMergedOcc 0
5 mol 39 unq 3 iso 0 dist 8.76925 5.00126 8.11238 5.92759 5.1736 7.45237 numMergedOcc 0
6 mol 61 unq 0 iso 0 dist 7.77128 9.70415 16.1373 10.4362 18.127 8.76003 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.225 8.41567 6.80777 7.5192 11.3094 6.21982 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.225 5.56964 9.95835 11.2136 14.9287 8.97793 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 9.225 5.56964 9.95835 7.5192 11.3094 8.19682 numMergedOcc 0
10 mol 76 unq 3 iso 0 dist 5.37449 6.62246 4.80624 9.82998 10.6345 6.21982 numMergedOcc 0
11 mol 76 unq 4 iso 0 dist 9.52666 6.62246 6.80777 9.82998 11.3094 6.21982 numMergedOcc 0
12 mol 86 unq 0 iso 0 dist 9.67574 8.40609 7.89966 6.82648 6.13833 7.79359 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 8.09751 5.70279 11.3776 11.8754 16.8739 7.75343 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 6.67941 7.23973 4.26125 5.27409 9.33819 7.12609 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 9.47253 8.97043 10.1455 7.266 13.8651 9.66954 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 9.47253 8.97043 10.1455 11.6637 16.5317 7.64585 numMergedOcc 0
17 mol 124 unq 0 iso 0 dist 8.03603 6.35314 5.1738 9.93612 11.8954 6.83051 numMergedOcc 0
18 mol 124 unq 1 iso 0 dist 8.03603 6.35314 5.1738 9.06209 14.1076 9.28376 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 6.00896 6.54987 4.8408 6.63186 10.5922 7.77454 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 6.55217 7.83582 9.7827 14.4791 14.5668 8.19104 numMergedOcc 0
21 mol 140 unq 1 iso 0 dist 6.55217 9.68229 12.2163 5.35291 10.8779 6.95323 numMergedOcc 0
22 mol 140 unq 2 iso 0 dist 7.21686 7.83582 5.80354 14.4791 11.4613 8.19104 numMergedOcc 0
23 mol 140 unq 3 iso 0 dist 7.21686 9.68229 9.18193 5.35291 10.246 6.95323 numMergedOcc 0
24 mol 155 unq 0 iso 0 dist 8.3622 5.68636 8.78324 7.441 9.77059 9.38946 numMergedOcc 0
25 mol 155 unq 1 iso 0 dist 8.3622 5.68636 8.78324 6.79302 12.5457 7.36102 numMergedOcc 0
26 mol 198 unq 0 iso 0 dist 7.89026 7.75394 6.51118 6.06154 11.9704 7.90031 numMergedOcc 0
27 mol 198 unq 1 iso 0 dist 7.89026 7.75394 6.51118 4.83589 9.3526 7.21533 numMergedOcc 0
28 mol 209 unq 0 iso 0 dist 6.74526 6.14896 7.34962 4.86181 11.452 7.95911 numMergedOcc 0
29 mol 209 unq 1 iso 0 dist 8.12326 6.14896 7.61997 4.86181 12.0666 7.95911 numMergedOcc 0
30 mol 209 unq 2 iso 0 dist 8.68691 9.12289 7.34962 7.37293 11.452 7.95911 numMergedOcc 0
31 mol 209 unq 3 iso 0 dist 7.37014 9.12289 7.61997 7.37293 12.0666 7.95911 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 7.99609 8.5834 9.69122 4.78647 11.3246 7.18956 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 8.18749 9.73411 11.2298 9.9234 15.167 6.87664 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 6.72105 8.89211 10.8978 6.12197 9.94653 7.07392 numMergedOcc 0
35 mol 232 unq 1 iso 0 dist 7.96569 8.89211 10.4487 6.12197 7.97572 7.07392 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 5.77828 5.67917 5.65008 10.761 14.6928 9.90142 numMergedOcc 0
37 mol 238 unq 1 iso 0 dist 5.77828 8.96639 10.5857 12.8735 17.3301 9.68513 numMergedOcc 0
38 mol 238 unq 2 iso 0 dist 5.77828 8.96639 10.5857 10.761 14.6928 5.9216 numMergedOcc 0
39 mol 238 unq 3 iso 0 dist 7.75366 4.87108 10.3683 5.61491 10.8592 7.49471 numMergedOcc 0
40 mol 238 unq 4 iso 0 dist 7.75366 7.64276 10.313 13.9044 16.4925 6.55759 numMergedOcc 0
41 mol 238 unq 5 iso 0 dist 7.75366 7.64276 10.313 13.3748 14.4244 7.02475 numMergedOcc 0
42 mol 238 unq 6 iso 0 dist 7.75366 7.64276 10.313 11.6924 10.2886 7.67322 numMergedOcc 0
43 mol 238 unq 7 iso 0 dist 7.75366 7.64276 10.313 5.61491 10.8592 7.19008 numMergedOcc 0
44 mol 241 unq 0 iso 0 dist 8.00841 8.98668 12.7003 13.6264 16.0462 6.83797 numMergedOcc 0
45 mol 249 unq 0 iso 0 dist 5.70674 7.72708 9.37444 6.94174 12.4226 8.96876 numMergedOcc 0
46 mol 256 unq 0 iso 0 dist 9.92947 5.98967 4.85574 6.25507 9.92048 5.24676 numMergedOcc 0
47 mol 258 unq 0 iso 0 dist 9.53832 8.40766 11.3925 5.70545 11.2991 6.49982 numMergedOcc 0
