0 mol 20 unq 0 iso 0 dist 7.89835 4.14436 7.14069 5.87364 10.5097 4.74809 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.89835 4.14436 7.14069 11.5403 10.3149 7.43882 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.89835 4.14436 7.14069 10.385 11.2406 7.31198 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 9.94205 4.14436 8.58641 5.87364 12.7656 4.74809 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 9.94205 4.14436 8.58641 11.5403 9.84883 7.43882 numMergedOcc 0
5 mol 20 unq 5 iso 0 dist 9.94205 4.14436 8.58641 10.385 13.0235 7.31198 numMergedOcc 0
6 mol 20 unq 6 iso 0 dist 9.08453 4.14436 5.99466 5.87364 10.2902 4.74809 numMergedOcc 0
7 mol 20 unq 7 iso 0 dist 9.08453 4.14436 5.99466 11.5403 5.22924 7.43882 numMergedOcc 0
8 mol 20 unq 8 iso 0 dist 9.08453 4.14436 5.99466 10.385 9.92781 7.31198 numMergedOcc 0
9 mol 20 unq 9 iso 0 dist 9.08453 9.3714 9.07213 5.87364 10.2902 5.86181 numMergedOcc 0
10 mol 20 unq 10 iso 0 dist 9.08453 9.3714 9.07213 11.5403 5.22924 6.3253 numMergedOcc 0
11 mol 20 unq 11 iso 0 dist 9.08453 9.3714 9.07213 10.385 9.92781 5.80568 numMergedOcc 0
12 mol 21 unq 0 iso 0 dist 6.29808 4.09637 5.63735 6.77108 6.29572 8.60289 numMergedOcc 0
13 mol 21 unq 1 iso 0 dist 7.46409 4.09637 6.28263 6.77108 5.55622 8.60289 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 9.78903 11.2286 5.78532 13.4408 6.86136 5.95834 numMergedOcc 0
15 mol 24 unq 1 iso 0 dist 9.78903 13.8528 8.49709 13.4408 6.86136 4.2121 numMergedOcc 0
16 mol 26 unq 0 iso 0 dist 6.84751 9.56649 9.96912 9.59446 6.64374 7.35861 numMergedOcc 0
17 mol 30 unq 0 iso 0 dist 9.16278 7.06531 6.00377 5.73475 5.0755 7.14464 numMergedOcc 0
18 mol 30 unq 1 iso 0 dist 8.93805 8.03355 9.4577 7.90081 4.02746 7.14464 numMergedOcc 0
19 mol 30 unq 2 iso 0 dist 9.83449 12.0074 9.4577 9.8581 4.02746 7.14464 numMergedOcc 0
20 mol 30 unq 3 iso 0 dist 9.67564 10.2236 6.00377 13.6216 5.0755 7.14464 numMergedOcc 0
21 mol 46 unq 0 iso 0 dist 7.33624 6.31647 5.96231 14.0122 10.324 8.0543 numMergedOcc 0
22 mol 68 unq 0 iso 0 dist 8.8014 6.78661 7.98985 13.3439 12.5617 6.74766 numMergedOcc 0
23 mol 79 unq 0 iso 0 dist 8.52697 12.6241 9.77084 6.9297 3.99035 9.78384 numMergedOcc 0
24 mol 79 unq 1 iso 0 dist 8.52697 12.6241 9.77084 17.7405 12.2375 8.87742 numMergedOcc 0
25 mol 79 unq 2 iso 0 dist 8.52697 12.6241 9.77084 12.8253 6.69352 4.93468 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 6.24296 4.32784 5.05893 5.99046 11.0952 9.66222 numMergedOcc 0
27 mol 85 unq 1 iso 0 dist 6.83218 4.32784 5.71866 5.99046 12.5181 9.66222 numMergedOcc 0
28 mol 91 unq 0 iso 0 dist 6.64714 5.75219 8.77355 4.86532 10.6223 8.66165 numMergedOcc 0
29 mol 93 unq 0 iso 0 dist 9.43355 17.826 9.19977 21.0016 11.7638 8.74378 numMergedOcc 0
30 mol 93 unq 1 iso 0 dist 9.43355 16.0131 7.28831 21.0016 11.7638 8.89417 numMergedOcc 0
31 mol 93 unq 2 iso 0 dist 9.43355 16.0131 7.28831 13.0854 5.93472 9.95255 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 5.44426 14.3798 9.84703 8.33845 3.94967 7.36769 numMergedOcc 0
33 mol 98 unq 1 iso 0 dist 5.44426 9.0917 4.62494 8.33845 3.94967 6.88901 numMergedOcc 0
34 mol 98 unq 2 iso 0 dist 8.65429 14.1628 9.25444 10.0453 3.92737 7.36769 numMergedOcc 0
35 mol 98 unq 3 iso 0 dist 8.65429 16.4829 8.46823 10.0453 3.92737 6.88901 numMergedOcc 0
36 mol 133 unq 0 iso 0 dist 7.33743 8.11294 8.83732 12.2194 6.24625 8.95662 numMergedOcc 0
37 mol 141 unq 0 iso 0 dist 4.54218 4.37003 5.92302 10.9074 10.0208 6.83404 numMergedOcc 0
38 mol 141 unq 1 iso 0 dist 8.36316 9.86195 5.92302 16.0491 10.0208 6.83404 numMergedOcc 0
39 mol 181 unq 0 iso 0 dist 9.19831 6.15536 8.59681 5.87853 5.14966 7.22883 numMergedOcc 0
40 mol 181 unq 1 iso 0 dist 7.83476 4.19412 8.12266 11.0559 14.2282 7.22883 numMergedOcc 0
41 mol 196 unq 0 iso 0 dist 4.48862 10.0025 8.48879 6.23981 5.40367 9.62455 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 8.22129 5.79979 6.59036 12.5897 4.68548 9.8664 numMergedOcc 0
