0 mol 10 unq 0 iso 0 dist 9.09758 6.55806 5.59965 10.2624 3.92592 6.18431 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.09758 6.55806 5.59965 14.1453 5.53712 9.07726 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 7.05626 10.0977 7.98326 15.0681 9.74251 6.859 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 5.94245 9.867 6.03257 10.8674 5.20798 6.23015 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 5.87364 4.14436 4.74809 7.89835 10.5097 7.14069 numMergedOcc 0
5 mol 20 unq 1 iso 0 dist 5.87364 4.14436 4.74809 9.94205 12.7656 8.58641 numMergedOcc 0
6 mol 20 unq 2 iso 0 dist 5.87364 4.14436 4.74809 9.08453 10.2902 5.99466 numMergedOcc 0
7 mol 20 unq 3 iso 0 dist 5.87364 9.3714 5.86181 9.08453 10.2902 9.07213 numMergedOcc 0
8 mol 21 unq 0 iso 0 dist 6.77108 4.09637 8.60289 6.29808 6.29572 5.63735 numMergedOcc 0
9 mol 21 unq 1 iso 0 dist 6.77108 4.09637 8.60289 7.46409 5.55622 6.28263 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 9.67696 4.89927 8.00171 9.80832 5.70626 9.85784 numMergedOcc 0
11 mol 24 unq 1 iso 0 dist 9.67696 4.89927 8.00171 11.5113 5.62738 9.87996 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 8.12171 11.6096 5.95834 20.343 12.5545 9.73647 numMergedOcc 0
13 mol 24 unq 3 iso 0 dist 8.12171 11.6096 5.95834 11.6677 4.08755 7.26334 numMergedOcc 0
14 mol 24 unq 4 iso 0 dist 8.12171 11.6096 5.95834 10.3879 6.86136 5.78532 numMergedOcc 0
15 mol 24 unq 5 iso 0 dist 8.12171 10.8208 4.2121 11.6677 4.08755 6.19899 numMergedOcc 0
16 mol 24 unq 6 iso 0 dist 8.12171 10.8208 4.2121 10.3879 6.86136 8.49709 numMergedOcc 0
17 mol 24 unq 7 iso 0 dist 8.12171 13.3998 6.72323 11.6677 4.08755 6.61696 numMergedOcc 0
18 mol 24 unq 8 iso 0 dist 8.12171 13.3998 6.72323 13.7266 10.0453 5.80953 numMergedOcc 0
19 mol 26 unq 0 iso 0 dist 8.01238 13.0316 6.56527 12.4597 4.76998 6.81793 numMergedOcc 0
20 mol 30 unq 0 iso 0 dist 5.22453 9.855 7.14464 8.65711 5.0755 6.00377 numMergedOcc 0
21 mol 30 unq 1 iso 0 dist 5.22453 9.855 7.14464 9.01256 5.39349 9.35623 numMergedOcc 0
22 mol 30 unq 2 iso 0 dist 5.22453 9.855 7.14464 8.77351 4.02746 9.4577 numMergedOcc 0
23 mol 30 unq 3 iso 0 dist 7.27643 12.4017 7.14464 11.962 5.0755 6.00377 numMergedOcc 0
24 mol 30 unq 4 iso 0 dist 7.27643 12.4017 7.14464 11.859 5.39349 9.35623 numMergedOcc 0
25 mol 30 unq 5 iso 0 dist 7.27643 12.4017 7.14464 9.89655 4.02746 9.4577 numMergedOcc 0
26 mol 30 unq 6 iso 0 dist 5.73475 7.06531 7.14464 9.16278 5.0755 6.00377 numMergedOcc 0
27 mol 30 unq 7 iso 0 dist 5.73475 7.06531 7.14464 10.8448 5.39349 9.35623 numMergedOcc 0
28 mol 30 unq 8 iso 0 dist 5.73475 7.06531 7.14464 9.28461 4.02746 9.4577 numMergedOcc 0
29 mol 30 unq 9 iso 0 dist 7.90081 8.03355 7.14464 10.9038 5.0755 6.00377 numMergedOcc 0
30 mol 30 unq 10 iso 0 dist 7.90081 8.03355 7.14464 12.3291 5.39349 9.35623 numMergedOcc 0
31 mol 30 unq 11 iso 0 dist 7.90081 8.03355 7.14464 8.93805 4.02746 9.4577 numMergedOcc 0
32 mol 79 unq 0 iso 0 dist 6.9297 12.6241 9.78384 8.52697 3.99035 9.77084 numMergedOcc 0
33 mol 79 unq 1 iso 0 dist 6.9297 12.6241 9.78384 9.9818 4.53016 6.5551 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 5.99046 4.32784 9.66222 6.24296 11.0952 5.05893 numMergedOcc 0
35 mol 85 unq 1 iso 0 dist 5.99046 4.32784 9.66222 6.83218 12.5181 5.71866 numMergedOcc 0
36 mol 91 unq 0 iso 0 dist 4.86532 5.75219 8.66165 6.64714 10.6223 8.77355 numMergedOcc 0
37 mol 141 unq 0 iso 0 dist 6.8891 10.0354 6.83404 14.3376 10.0208 5.92302 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 5.87853 6.15536 7.22883 12.2912 14.2282 8.12266 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 5.87853 6.15536 7.22883 12.82 10.273 9.43306 numMergedOcc 0
40 mol 181 unq 2 iso 0 dist 5.87853 6.15536 7.22883 9.19831 5.14966 8.59681 numMergedOcc 0
41 mol 184 unq 0 iso 0 dist 9.13228 13.8418 7.54099 10.0821 7.81466 7.81263 numMergedOcc 0
42 mol 192 unq 0 iso 0 dist 8.6938 9.81916 8.26288 17.3102 11.3394 9.40971 numMergedOcc 0
43 mol 192 unq 1 iso 0 dist 7.50854 6.8017 8.26288 15.1765 11.3394 9.40971 numMergedOcc 0
44 mol 196 unq 0 iso 0 dist 6.23981 10.0025 9.62455 4.48862 5.40367 8.48879 numMergedOcc 0
45 mol 196 unq 1 iso 0 dist 6.23981 10.0025 9.62455 9.17772 11.2785 5.89591 numMergedOcc 0
46 mol 196 unq 2 iso 0 dist 6.23981 10.0025 9.62455 15.2069 17.7382 9.72376 numMergedOcc 0
47 mol 196 unq 3 iso 0 dist 8.27112 9.11364 9.62455 11.7391 5.40367 8.48879 numMergedOcc 0
48 mol 196 unq 4 iso 0 dist 8.27112 9.11364 9.62455 13.8806 11.2785 5.89591 numMergedOcc 0
49 mol 196 unq 5 iso 0 dist 8.27112 9.11364 9.62455 18.2709 17.7382 9.72376 numMergedOcc 0
50 mol 196 unq 6 iso 0 dist 8.24718 8.99329 9.62455 10.3795 5.40367 8.48879 numMergedOcc 0
51 mol 196 unq 7 iso 0 dist 8.24718 8.99329 9.62455 12.381 11.2785 5.89591 numMergedOcc 0
52 mol 196 unq 8 iso 0 dist 8.24718 8.99329 9.62455 16.7257 17.7382 9.72376 numMergedOcc 0
