0 mol 15 unq 0 iso 0 dist 5.94245 5.72359 5.33641 6.32451 10.4058 8.60614 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 5.87364 7.89835 10.5097 4.14436 4.74809 7.14069 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 5.87364 9.94205 12.7656 4.14436 4.74809 8.58641 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 5.87364 9.08453 10.2902 4.14436 4.74809 5.99466 numMergedOcc 0
4 mol 20 unq 3 iso 0 dist 5.87364 9.08453 10.2902 9.3714 5.86181 9.07213 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 6.77108 6.29808 6.29572 4.09637 8.60289 5.63735 numMergedOcc 0
6 mol 21 unq 1 iso 0 dist 6.77108 7.46409 5.55622 4.09637 8.60289 6.28263 numMergedOcc 0
7 mol 26 unq 0 iso 0 dist 8.01238 6.84751 5.39199 9.56649 10.3969 9.96912 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 5.73475 9.16278 5.0755 7.06531 7.14464 6.00377 numMergedOcc 0
9 mol 30 unq 1 iso 0 dist 7.90081 8.93805 4.02746 8.03355 7.14464 9.4577 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.80308 9.1791 10.3684 4.7391 10.2007 7.58739 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 8.80308 6.86485 5.66912 4.7391 10.2007 9.01564 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 8.80308 8.37546 5.76523 4.7391 10.2007 7.11065 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 6.9297 8.52697 3.99035 12.6241 9.78384 9.77084 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 5.99046 6.24296 11.0952 4.32784 9.66222 5.05893 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 5.99046 6.83218 12.5181 4.32784 9.66222 5.71866 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 4.86532 6.64714 10.6223 5.75219 8.66165 8.77355 numMergedOcc 0
17 mol 93 unq 0 iso 0 dist 6.70158 9.43355 14.433 17.826 22.7414 9.19977 numMergedOcc 0
18 mol 93 unq 1 iso 0 dist 6.70158 9.43355 14.433 16.0131 20.0356 7.28831 numMergedOcc 0
19 mol 93 unq 2 iso 0 dist 6.70158 9.43355 14.433 11.7408 17.6392 9.71411 numMergedOcc 0
20 mol 93 unq 3 iso 0 dist 7.29701 9.43355 14.9656 17.826 23.3973 9.19977 numMergedOcc 0
21 mol 93 unq 4 iso 0 dist 7.29701 9.43355 14.9656 16.0131 22.1507 7.28831 numMergedOcc 0
22 mol 93 unq 5 iso 0 dist 7.29701 9.43355 14.9656 11.7408 16.0808 9.71411 numMergedOcc 0
23 mol 112 unq 0 iso 0 dist 5.93497 5.80831 3.99855 6.84726 10.3696 7.67238 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 9.68996 7.33743 4.10674 8.11294 12.7754 8.83732 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 5.87853 9.19831 5.14966 6.15536 7.22883 8.59681 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 8.83185 7.83476 4.98436 4.19412 10.3104 8.12266 numMergedOcc 0
27 mol 196 unq 0 iso 0 dist 6.23981 4.48862 5.40367 10.0025 9.62455 8.48879 numMergedOcc 0
28 mol 196 unq 1 iso 0 dist 5.92441 4.48862 6.70817 10.0025 13.8553 8.48879 numMergedOcc 0
