0 mol 4 unq 0 iso 0 dist 4.88114 7.88748 9.81212 8.98718 9.06123 16.8354 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 4.88114 7.88748 9.81212 5.52224 9.22272 12.123 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 5.86972 7.17698 5.31226 5.60016 9.18985 11.9166 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 5.86972 4.74069 4.57886 5.60016 9.18985 10.1111 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 6.01454 6.68961 6.1565 10.7098 6.99001 12.4791 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 9.3473 9.899 14.2457 14.0821 8.8633 21.0964 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 8.94995 9.66537 8.13018 7.37414 6.84818 12.9541 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 8.34427 8.57774 13.2297 5.9261 9.86237 9.8591 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.50126 5.9959 5.30466 6.52556 8.70392 10.8376 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 8.954 6.51243 5.09521 16.1423 9.25835 14.2344 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 6.47689 8.39573 5.71744 5.39949 6.66608 5.99437 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 8.94671 8.8774 4.82437 12.3479 9.68323 13.3817 numMergedOcc 0
12 mol 199 unq 0 iso 0 dist 9.88917 9.57414 4.95497 8.14324 9.43695 11.4699 numMergedOcc 0
13 mol 199 unq 1 iso 0 dist 9.56785 9.57414 8.54449 8.14324 8.32753 11.4699 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 4.67452 8.3704 5.05436 6.66401 9.30312 13.4617 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 7.80764 7.5808 7.74459 10.5593 6.64193 13.9181 numMergedOcc 0
16 mol 223 unq 1 iso 0 dist 5.75896 7.5808 4.53638 5.64061 8.12403 11.8787 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.47122 8.57781 3.56689 5.93235 6.48885 5.05368 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 6.6537 5.36326 3.56689 6.66792 6.48885 5.05368 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 8.32298 9.09697 5.05503 5.72903 7.64854 7.30592 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 6.23346 9.3974 12.4865 7.30348 7.48445 12.9964 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 6.58277 8.95841 11.8531 14.2081 9.45876 21.2569 numMergedOcc 0
22 mol 266 unq 1 iso 0 dist 8.42706 8.62843 11.8531 16.3962 9.45876 21.2569 numMergedOcc 0
