0 mol 0 unq 0 iso 0 dist 7.65806 9.99338 4.99728 9.64573 9.19007 6.78251 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.99338 4.99728 16.1331 10.9824 6.43144 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.65806 9.99338 4.99728 6.05328 9.56794 8.69282 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 9.6994 8.13129 6.40255 7.29879 12.412 6.78251 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 9.6994 8.13129 6.40255 6.34883 6.26831 6.43144 numMergedOcc 0
5 mol 0 unq 5 iso 0 dist 9.6994 8.13129 6.40255 10.5439 12.9984 8.69282 numMergedOcc 0
6 mol 0 unq 6 iso 0 dist 7.15528 9.07223 6.40255 11.9599 12.412 6.78251 numMergedOcc 0
7 mol 0 unq 7 iso 0 dist 7.15528 9.07223 6.40255 9.19662 6.26831 6.43144 numMergedOcc 0
8 mol 0 unq 8 iso 0 dist 7.15528 9.07223 6.40255 10.4442 12.9984 8.69282 numMergedOcc 0
9 mol 7 unq 0 iso 0 dist 9.60499 7.60712 14.0261 6.58469 14.3576 7.20024 numMergedOcc 0
10 mol 7 unq 1 iso 0 dist 9.60499 7.5706 10.5551 14.6803 14.9635 7.12105 numMergedOcc 0
11 mol 7 unq 2 iso 0 dist 8.41585 6.28925 10.6847 10.2446 7.88043 7.12105 numMergedOcc 0
12 mol 7 unq 3 iso 0 dist 7.10621 8.70159 4.87279 5.44992 5.72491 7.12105 numMergedOcc 0
13 mol 8 unq 0 iso 0 dist 8.96553 5.89134 4.41134 6.32152 10.715 7.14096 numMergedOcc 0
14 mol 52 unq 0 iso 0 dist 9.80098 5.75761 6.55615 6.61767 13.8889 7.59119 numMergedOcc 0
15 mol 52 unq 1 iso 0 dist 7.34143 5.75761 9.64358 6.61767 13.6482 7.59119 numMergedOcc 0
16 mol 56 unq 0 iso 0 dist 8.66265 9.36071 5.19333 6.03623 6.77886 5.6727 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 7.97049 9.30021 10.4545 4.18004 10.7271 8.03724 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 7.47541 5.62635 10.4545 8.42713 10.7271 8.03724 numMergedOcc 0
19 mol 85 unq 2 iso 0 dist 6.19965 9.30021 12.3178 4.18004 10.255 8.03724 numMergedOcc 0
20 mol 85 unq 3 iso 0 dist 7.66905 5.62635 12.3178 8.42713 10.255 8.03724 numMergedOcc 0
21 mol 85 unq 4 iso 0 dist 5.73196 5.62635 7.43006 8.42713 12.6146 8.03724 numMergedOcc 0
22 mol 88 unq 0 iso 0 dist 9.36773 6.066 6.81076 5.31226 12.1018 6.92784 numMergedOcc 0
23 mol 88 unq 1 iso 0 dist 8.31336 9.36032 6.81076 9.61103 12.1018 6.92784 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.73993 6.69217 11.3981 6.4739 14.7696 7.05969 numMergedOcc 0
25 mol 119 unq 1 iso 0 dist 8.73993 6.69217 11.3981 3.78311 7.77116 9.69257 numMergedOcc 0
26 mol 119 unq 2 iso 0 dist 6.18601 9.70093 10.6133 5.75886 9.66471 7.05969 numMergedOcc 0
27 mol 119 unq 3 iso 0 dist 6.18601 9.70093 10.6133 13.52 12.6868 9.69257 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 6.29155 4.51266 5.47259 5.74088 6.76699 6.85886 numMergedOcc 0
29 mol 133 unq 1 iso 0 dist 6.80239 4.51266 4.70102 5.74088 11.1595 6.85886 numMergedOcc 0
30 mol 133 unq 2 iso 0 dist 7.11802 9.64695 6.56917 8.28698 10.5656 6.85886 numMergedOcc 0
31 mol 133 unq 3 iso 0 dist 8.00618 4.51266 6.56917 5.74088 10.5656 6.85886 numMergedOcc 0
32 mol 175 unq 0 iso 0 dist 9.29945 6.95549 5.32538 8.68081 6.4318 9.24943 numMergedOcc 0
33 mol 175 unq 1 iso 0 dist 9.29945 6.95549 5.32538 12.5754 7.35824 9.58615 numMergedOcc 0
34 mol 175 unq 2 iso 0 dist 9.29945 6.95549 5.32538 10.0424 9.17364 6.83568 numMergedOcc 0
35 mol 178 unq 0 iso 0 dist 7.17202 7.12045 6.39077 9.79302 4.92088 7.88301 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 8.81551 8.94945 6.39077 8.65097 4.92088 7.88301 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 7.81386 8.47008 7.45927 9.92777 14.3453 9.2826 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 7.63312 8.47008 5.83639 9.92777 11.6558 9.2826 numMergedOcc 0
39 mol 229 unq 0 iso 0 dist 7.03423 7.38552 5.31837 9.62106 8.92743 4.96527 numMergedOcc 0
40 mol 229 unq 1 iso 0 dist 9.06952 7.38552 4.74734 9.62106 9.45972 4.96527 numMergedOcc 0
41 mol 239 unq 0 iso 0 dist 6.16342 5.45139 4.86449 8.9361 13.1682 9.06516 numMergedOcc 0
