0 mol 1 unq 0 iso 0 dist 9.12196 7.94662 7.73435 10.8992 11.6921 7.27254 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.82379 5.7531 7.12263 6.56356 8.64248 8.83742 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.24978 4.88215 7.12263 11.865 8.64248 8.83742 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 9.66439 6.36434 7.12263 14.7257 8.64248 8.83742 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 7.3915 8.79272 7.12263 12.536 8.64248 8.83742 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 7.05346 6.119 5.55437 12.8359 8.17486 7.05919 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.60423 6.58998 9.38831 7.95042 4.47891 8.24948 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 7.83786 11.0493 9.38831 11.6516 4.47891 8.24948 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 4.93188 9.48345 9.40479 10.9113 9.57743 8.24948 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 4.93188 14.4162 9.58012 9.33482 5.11135 7.96195 numMergedOcc 0
10 mol 24 unq 4 iso 0 dist 9.24958 13.1456 9.40479 16.707 9.57743 8.24948 numMergedOcc 0
11 mol 24 unq 5 iso 0 dist 9.24958 10.0655 9.58012 7.27472 5.11135 7.96195 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 9.93832 7.05402 7.31982 6.6263 4.55347 7.15901 numMergedOcc 0
13 mol 43 unq 1 iso 0 dist 8.60739 5.48048 7.31982 6.75943 4.55347 7.15901 numMergedOcc 0
14 mol 43 unq 2 iso 0 dist 8.44903 5.64171 7.31982 6.66407 4.69849 7.24352 numMergedOcc 0
15 mol 93 unq 0 iso 0 dist 9.81831 12.2598 7.8674 15.9513 7.92049 6.18348 numMergedOcc 0
16 mol 93 unq 1 iso 0 dist 9.12858 14.8533 7.8674 16.9296 7.92049 6.18348 numMergedOcc 0
17 mol 93 unq 2 iso 0 dist 9.4523 12.7936 7.8674 15.7468 7.92049 6.18348 numMergedOcc 0
18 mol 115 unq 0 iso 0 dist 5.74857 7.3094 8.71286 11.8378 8.80697 8.4965 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 7.99857 4.99056 8.03035 11.2897 6.71103 9.6121 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 7.99857 4.99056 8.03035 6.99446 6.29394 9.57341 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 8.56342 3.78311 8.03035 12.31 6.71103 9.6121 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 8.56342 3.78311 8.03035 7.64052 6.29394 9.57341 numMergedOcc 0
23 mol 119 unq 4 iso 0 dist 6.37542 3.78311 7.6968 12.31 12.4868 9.6121 numMergedOcc 0
24 mol 119 unq 5 iso 0 dist 6.37542 3.78311 7.6968 7.64052 9.64502 9.57341 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 8.41611 10.8441 5.73236 13.8345 6.55089 7.16698 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 8.41611 10.8441 5.73236 5.40637 6.16103 8.68663 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 9.77552 7.2238 6.39031 6.59889 4.71678 7.1069 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.28642 5.59336 6.39031 6.70693 4.71678 7.1069 numMergedOcc 0
29 mol 152 unq 2 iso 0 dist 8.35555 7.78913 8.60521 10.4285 5.55763 6.09987 numMergedOcc 0
30 mol 152 unq 3 iso 0 dist 8.35555 5.70788 6.39031 10.4285 5.55763 6.92726 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 8.77887 5.16512 9.05835 6.73504 6.19242 7.32888 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 7.20574 12.7155 7.55358 19.553 13.0608 8.57801 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 6.85302 9.97575 7.55358 17.9507 13.0608 8.57801 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 9.98215 9.97575 7.60991 17.9507 11.868 8.57801 numMergedOcc 0
35 mol 186 unq 3 iso 0 dist 9.83476 6.87725 8.12349 7.2793 6.38897 8.31881 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 6.6561 4.76151 6.53728 6.50998 6.35462 9.87668 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 6.6561 4.76151 6.53728 9.09424 5.94765 8.42121 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 6.6561 4.76151 6.53728 11.8802 11.6976 7.8744 numMergedOcc 0
39 mol 225 unq 3 iso 0 dist 6.6561 4.76151 6.53728 8.14831 11.2847 4.98402 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 8.38865 10.5813 9.56257 5.23634 7.3164 9.43618 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 5.4694 7.22396 9.56257 6.91318 7.3164 9.43618 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 8.03442 11.0628 9.56257 9.91384 11.2819 5.28771 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 6.66971 10.7508 9.89583 14.4013 13.0611 6.53286 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 6.4398 5.87253 9.89583 11.1002 13.0611 6.53286 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 7.32982 10.7551 9.89583 9.72188 13.0611 6.53286 numMergedOcc 0
46 mol 252 unq 0 iso 0 dist 6.86945 7.63376 8.55481 7.15764 4.34126 5.9974 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 5.90924 7.36132 7.14086 numMergedOcc 0
48 mol 264 unq 1 iso 0 dist 6.42588 10.1591 5.74568 9.58916 7.36132 7.14086 numMergedOcc 0
49 mol 264 unq 2 iso 0 dist 6.04162 6.84156 5.74568 9.19754 5.82131 6.02757 numMergedOcc 0
50 mol 264 unq 3 iso 0 dist 6.04162 6.84156 5.74568 13.8802 9.58444 8.67231 numMergedOcc 0
51 mol 264 unq 4 iso 0 dist 6.14323 9.37297 5.74568 8.29262 5.82131 6.02757 numMergedOcc 0
52 mol 264 unq 5 iso 0 dist 6.14323 9.37297 5.74568 13.4196 9.58444 8.67231 numMergedOcc 0
