0 mol 29 unq 0 iso 0 dist 7.71924 5.36278 8.02814 8.9204 4.40181 7.29489 5.3571 7.71617 9.78134 9.41017 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 8.90581 5.02236 8.50024 4.5844 11.5125 7.13565 11.8596 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 6.42242 13.1229 5.84184 12.665 16.7433 7.34325 10.6858 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.36915 9.53081 13.2937 6.42242 13.1229 5.84184 14.1985 18.0898 6.42037 10.7881 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.01454 9.53081 5.41488 6.42242 6.98858 5.84184 12.665 8.94842 7.34325 10.6858 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.01454 9.53081 5.41488 6.42242 6.98858 5.84184 14.1985 9.9555 6.42037 10.7881 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 9.23947 11.3115 8.95689 7.91421 8.13162 7.11238 15.4915 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.4438 4.34694 9.65371 6.82707 7.94629 10.5011 4.93697 7.75341 7.47162 8.4701 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.41952 8.64686 9.57704 7.99438 9.30887 14.0351 7.18389 12.7824 7.82966 14.7452 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 7.41952 8.64686 9.57704 7.99438 9.30887 14.0351 11.5374 16.3634 8.26763 16.9526 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 7.41952 8.64686 9.57704 7.99438 9.30887 14.0351 5.21981 10.7273 6.30814 10.8539 numMergedOcc 0
11 mol 79 unq 3 iso 0 dist 7.41952 8.64686 9.57704 7.99438 9.30887 14.0351 8.12985 8.0318 7.318 14.9591 numMergedOcc 0
12 mol 79 unq 4 iso 0 dist 7.41952 8.64686 9.57704 6.64915 11.3722 13.4228 7.18389 12.7824 7.82966 12.1682 numMergedOcc 0
13 mol 79 unq 5 iso 0 dist 7.41952 8.64686 9.57704 6.64915 11.3722 13.4228 11.5374 16.3634 8.26763 14.2209 numMergedOcc 0
14 mol 79 unq 6 iso 0 dist 7.41952 8.64686 9.57704 6.64915 11.3722 13.4228 5.21981 10.7273 6.30814 8.50427 numMergedOcc 0
15 mol 79 unq 7 iso 0 dist 7.41952 8.64686 9.57704 6.64915 11.3722 13.4228 8.12985 8.0318 7.318 14.7047 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 5.78962 8.91354 7.47242 6.93893 9.0185 5.06999 5.09341 7.77953 9.84288 8.77355 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 7.57716 6.50756 8.34243 8.32948 4.45003 11.1785 4.606 11.5277 9.5745 10.8716 numMergedOcc 0
18 mol 220 unq 1 iso 0 dist 8.98362 6.50756 5.82963 8.32948 14.9758 11.1785 4.606 9.21416 9.5745 10.8716 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 8.88405 8.43621 8.64384 7.69003 12.4099 8.75172 11.5348 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 7.6402 7.74348 13.5224 7.13854 6.96377 9.7977 7.69003 12.4099 8.75172 13.474 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 6.91534 15.1473 9.08479 3.28983 6.64008 9.993 8.95511 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 8.34832 8.48545 14.2079 8.67704 16.5164 5.88166 3.28983 6.64008 9.993 11.3228 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 6.51428 7.79787 13.4155 9.97458 16.0237 4.89551 8.65358 13.2708 8.93589 6.53416 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 9.29922 13.4771 15.4124 4.91802 8.9352 8.34313 7.17958 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 9.29922 12.7014 15.4124 4.91802 5.8845 8.34313 7.17958 numMergedOcc 0
