0 mol 10 unq 0 iso 0 dist 8.00369 9.69704 6.18431 13.5977 7.60549 6.77807 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.46208 4.73459 6.41656 8.43581 3.73148 5.72005 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.2004 7.19293 9.85784 5.02954 4.11146 9.58192 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 4.90592 9.57743 5.80953 9.65174 9.63925 7.7447 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.36461 4.47891 5.80953 11.5255 9.63925 7.7447 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 6.74848 9.45442 6.81793 13.5481 12.5394 8.97754 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.91427 8.69385 7.98985 10.1028 3.99506 5.64092 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 8.91427 8.69385 7.98985 15.6969 16.2325 8.71074 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.70863 12.7386 5.05893 12.217 5.22259 4.29937 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.70863 12.7386 5.05893 14.7286 7.66499 5.37869 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 8.70863 14.1999 5.71866 12.217 5.22259 3.65628 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 8.70863 14.1999 5.71866 14.7286 7.66499 4.05415 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 5.39061 4.24991 7.75314 4.48699 4.94367 8.49847 numMergedOcc 0
13 mol 162 unq 0 iso 0 dist 7.58035 10.2189 8.33407 14.9907 8.40035 8.33649 numMergedOcc 0
14 mol 162 unq 1 iso 0 dist 8.21989 11.1329 8.33407 11.868 8.40035 8.33649 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 8.1536 6.1593 7.47964 14.1672 8.77204 9.68512 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.46987 9.40383 9.45907 16.4753 14.2269 8.17928 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 4.5271 6.38897 6.88127 13.3578 13.2309 9.34653 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 6.37788 5.28603 4.19371 5.13892 3.7326 4.45769 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 6.37788 5.28603 4.19371 5.78717 7.29209 5.89939 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 6.37788 10.7058 9.71015 5.13892 3.7326 8.99961 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 6.37788 10.7058 9.71015 5.78717 7.29209 8.18853 numMergedOcc 0
22 mol 194 unq 4 iso 0 dist 8.7028 11.0713 4.19371 8.2232 3.7326 4.45769 numMergedOcc 0
23 mol 194 unq 5 iso 0 dist 8.7028 11.0713 4.19371 10.3448 7.29209 5.89939 numMergedOcc 0
24 mol 194 unq 6 iso 0 dist 8.7028 16.9177 9.71015 8.2232 3.7326 8.99961 numMergedOcc 0
25 mol 194 unq 7 iso 0 dist 8.7028 16.9177 9.71015 10.3448 7.29209 8.18853 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 7.39391 4.34126 8.09509 11.6079 11.8619 7.62991 numMergedOcc 0
27 mol 252 unq 1 iso 0 dist 7.39391 4.34126 8.09509 8.38453 3.99887 9.81261 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 7.99521 11.362 6.75725 11.3234 3.60349 8.51564 numMergedOcc 0
29 mol 260 unq 1 iso 0 dist 7.99521 5.38958 9.31888 4.64695 7.28821 7.49606 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 9.53943 5.67713 9.63518 14.9464 13.8751 9.83672 numMergedOcc 0
