0 mol 12 unq 0 iso 0 dist 8.15864 8.18296 10.1802 5.03514 8.18139 10.2159 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.15864 7.99569 11.8349 5.03514 8.18139 12.1384 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 5.36278 8.9204 7.29489 5.3571 9.78134 9.41017 numMergedOcc 0
3 mol 29 unq 1 iso 0 dist 7.50258 9.19374 5.07025 12.1835 9.78134 14.8344 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.204 8.90581 8.50024 4.5844 7.13565 11.8596 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.53081 6.42242 5.84184 12.665 7.34325 10.6858 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 9.53081 6.42242 5.84184 14.1985 6.42037 10.7881 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 6.70095 8.5021 6.52918 5.86191 8.56916 10.99 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 5.66803 9.23947 8.95689 7.91421 7.11238 15.4915 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 8.90896 6.66506 5.00474 11.5216 9.79061 6.14542 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 4.34694 6.82707 10.5011 4.93697 7.47162 8.4701 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 8.64686 7.99438 14.0351 7.18389 7.82966 14.7452 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 8.64686 7.99438 14.0351 11.5374 8.26763 16.9526 numMergedOcc 0
13 mol 79 unq 2 iso 0 dist 8.64686 7.99438 14.0351 5.21981 6.30814 10.8539 numMergedOcc 0
14 mol 79 unq 3 iso 0 dist 8.64686 7.99438 14.0351 8.12985 7.318 14.9591 numMergedOcc 0
15 mol 79 unq 4 iso 0 dist 8.64686 6.64915 13.4228 7.18389 7.82966 12.1682 numMergedOcc 0
16 mol 79 unq 5 iso 0 dist 8.64686 6.64915 13.4228 11.5374 8.26763 14.2209 numMergedOcc 0
17 mol 79 unq 6 iso 0 dist 8.64686 6.64915 13.4228 5.21981 6.30814 8.50427 numMergedOcc 0
18 mol 79 unq 7 iso 0 dist 8.64686 6.64915 13.4228 8.12985 7.318 14.7047 numMergedOcc 0
19 mol 91 unq 0 iso 0 dist 8.91354 6.93893 5.06999 5.09341 9.84288 8.77355 numMergedOcc 0
20 mol 96 unq 0 iso 0 dist 8.9056 9.46568 14.7866 6.29583 9.90938 15.6592 numMergedOcc 0
21 mol 195 unq 0 iso 0 dist 7.2833 9.25935 8.71774 4.79025 9.20541 6.22742 numMergedOcc 0
22 mol 195 unq 1 iso 0 dist 7.2833 9.25935 8.71774 6.01032 6.65077 13.3723 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 6.50756 8.32948 11.1785 4.606 9.5745 10.8716 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 7.74348 8.88405 8.64384 7.69003 8.75172 11.5348 numMergedOcc 0
25 mol 236 unq 1 iso 0 dist 7.74348 7.13854 9.7977 7.69003 8.75172 13.474 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.48545 6.91534 9.08479 3.28983 9.993 8.95511 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 8.48545 8.67704 5.88166 3.28983 9.993 11.3228 numMergedOcc 0
28 mol 244 unq 0 iso 0 dist 7.79787 9.97458 4.89551 8.65358 8.93589 6.53416 numMergedOcc 0
29 mol 271 unq 0 iso 0 dist 9.50884 7.03848 11.0964 15.1078 9.86908 19.0492 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 8.03486 9.29922 15.4124 4.91802 8.34313 7.17958 numMergedOcc 0
