0 mol 1 unq 0 iso 0 dist 6.86701 12.7486 7.27254 17.4663 11.6921 7.73435 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 6.86701 12.7486 7.27254 16.9119 10.2632 5.71995 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 6.56356 5.7531 8.83742 6.82379 8.64248 7.12263 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 9.01112 7.17012 8.83742 10.6335 8.64248 7.12263 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 7.62333 6.31881 8.83742 11.7258 8.64248 7.12263 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 5.8245 3.98483 7.05919 8.83269 8.17486 5.55437 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 7.95042 6.58998 8.24948 13.0257 9.57743 9.40479 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 7.95042 6.58998 8.24948 6.60423 4.47891 9.38831 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 7.27472 10.0655 7.96195 9.24958 5.11135 9.58012 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 6.6263 7.05402 7.15901 9.93832 4.55347 7.31982 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 6.75943 5.48048 7.15901 8.60739 4.55347 7.31982 numMergedOcc 0
11 mol 43 unq 2 iso 0 dist 6.66407 5.64171 7.24352 8.44903 4.69849 7.31982 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 9.22631 9.57225 5.71763 13.3839 11.0802 5.51624 numMergedOcc 0
13 mol 93 unq 1 iso 0 dist 9.22631 9.57225 5.71763 10.5202 5.33894 7.8674 numMergedOcc 0
14 mol 105 unq 0 iso 0 dist 9.16718 7.33596 7.44838 14.4953 9.02856 8.44437 numMergedOcc 0
15 mol 105 unq 1 iso 0 dist 7.94633 8.22667 7.44838 15.0224 9.02856 8.44437 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 6.04595 5.61704 8.4965 10.0289 8.80697 8.71286 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 8.95212 13.52 9.57341 14.6439 6.29394 8.03035 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 8.95212 13.52 9.57341 12.8836 9.64502 7.6968 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 6.99446 4.99056 9.57341 7.99857 6.29394 8.03035 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 6.99446 4.99056 9.57341 10.4631 9.64502 7.6968 numMergedOcc 0
21 mol 119 unq 4 iso 0 dist 7.64052 3.78311 9.57341 8.56342 6.29394 8.03035 numMergedOcc 0
22 mol 119 unq 5 iso 0 dist 7.64052 3.78311 9.57341 6.37542 9.64502 7.6968 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 5.40637 10.8441 8.68663 8.41611 6.16103 5.73236 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 6.41689 5.81236 6.09987 11.3952 5.55763 8.60521 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 6.41689 9.22869 6.92726 11.3952 5.55763 6.39031 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 9.07758 6.8161 6.09987 11.2686 5.55763 8.60521 numMergedOcc 0
27 mol 152 unq 3 iso 0 dist 9.07758 5.71767 6.92726 11.2686 5.55763 6.39031 numMergedOcc 0
28 mol 152 unq 4 iso 0 dist 6.59889 7.2238 7.1069 14.7746 10.6183 8.60521 numMergedOcc 0
29 mol 152 unq 5 iso 0 dist 6.59889 7.2238 7.1069 9.77552 4.71678 6.39031 numMergedOcc 0
30 mol 152 unq 6 iso 0 dist 6.70693 5.59336 7.1069 9.39331 10.6183 8.60521 numMergedOcc 0
31 mol 152 unq 7 iso 0 dist 6.70693 5.59336 7.1069 8.28642 4.71678 6.39031 numMergedOcc 0
32 mol 154 unq 0 iso 0 dist 8.33439 6.55507 9.82982 14.5836 17.2648 9.14458 numMergedOcc 0
33 mol 184 unq 0 iso 0 dist 6.73504 5.16512 7.32888 8.77887 6.19242 9.05835 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 7.2793 6.87725 8.31881 9.83476 6.38897 8.12349 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 8.1945 16.6392 9.87668 11.5332 6.35462 6.53728 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 6.50998 4.76151 9.87668 6.6561 6.35462 6.53728 numMergedOcc 0
37 mol 225 unq 2 iso 0 dist 9.09424 4.76151 8.42121 6.6561 5.94765 6.53728 numMergedOcc 0
38 mol 225 unq 3 iso 0 dist 8.14831 4.76151 4.98402 6.6561 11.2847 6.53728 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 5.23634 10.5813 9.43618 8.38865 7.3164 9.56257 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 6.91318 7.22396 9.43618 5.4694 7.3164 9.56257 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 9.12776 11.0349 6.53286 17.2012 13.0611 9.89583 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 9.72188 10.7551 6.53286 7.32982 13.0611 9.89583 numMergedOcc 0
43 mol 252 unq 0 iso 0 dist 7.15764 7.63376 5.9974 6.86945 4.34126 8.55481 numMergedOcc 0
44 mol 264 unq 0 iso 0 dist 5.90924 4.48907 7.14086 7.52281 7.36132 5.74568 numMergedOcc 0
45 mol 264 unq 1 iso 0 dist 5.90058 9.09085 7.14086 12.2392 7.36132 5.74568 numMergedOcc 0
46 mol 264 unq 2 iso 0 dist 9.58916 10.1591 7.14086 6.42588 7.36132 5.74568 numMergedOcc 0
47 mol 264 unq 3 iso 0 dist 9.19754 6.84156 6.02757 6.04162 5.82131 5.74568 numMergedOcc 0
48 mol 264 unq 4 iso 0 dist 8.29262 9.37297 6.02757 6.14323 5.82131 5.74568 numMergedOcc 0
49 mol 284 unq 0 iso 0 dist 9.19921 10.8266 8.63754 13.9691 5.69778 7.97588 numMergedOcc 0
50 mol 284 unq 1 iso 0 dist 6.41303 8.63375 8.63754 10.4342 5.69778 7.97588 numMergedOcc 0
