0 mol 5 unq 0 iso 0 dist 8.42711 13.4074 9.30028 9.46768 9.04537 11.4549 numMergedOcc 0
1 mol 5 unq 0 iso 1 dist 9.30028 13.4074 8.42711 11.4549 9.04537 9.46768 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.77714 10.6687 6.46118 4.62339 8.96621 10.0767 numMergedOcc 0
3 mol 48 unq 0 iso 1 dist 6.46118 10.6687 7.77714 10.0767 8.96621 4.62339 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 6.71884 15.4294 9.25575 14.1571 9.77301 5.96368 numMergedOcc 0
5 mol 55 unq 0 iso 1 dist 9.25575 15.4294 6.71884 5.96368 9.77301 14.1571 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 6.29966 9.36195 9.31725 4.43985 7.52802 9.15007 numMergedOcc 0
7 mol 108 unq 0 iso 1 dist 9.31725 9.36195 6.29966 9.15007 7.52802 4.43985 numMergedOcc 0
8 mol 108 unq 1 iso 0 dist 6.29966 9.36195 9.31725 10.9562 8.1971 16.2146 numMergedOcc 0
9 mol 108 unq 1 iso 1 dist 9.31725 9.36195 6.29966 16.2146 8.1971 10.9562 numMergedOcc 0
10 mol 108 unq 2 iso 0 dist 6.29966 9.36195 9.31725 13.0702 7.84262 13.816 numMergedOcc 0
11 mol 108 unq 2 iso 1 dist 9.31725 9.36195 6.29966 13.816 7.84262 13.0702 numMergedOcc 0
12 mol 108 unq 3 iso 0 dist 6.29966 7.73752 9.57358 4.43985 7.52802 9.33094 numMergedOcc 0
13 mol 108 unq 3 iso 1 dist 9.57358 7.73752 6.29966 9.33094 7.52802 4.43985 numMergedOcc 0
14 mol 108 unq 4 iso 0 dist 6.29966 7.73752 9.57358 10.9562 8.1971 16.9607 numMergedOcc 0
15 mol 108 unq 4 iso 1 dist 9.57358 7.73752 6.29966 16.9607 8.1971 10.9562 numMergedOcc 0
16 mol 108 unq 5 iso 0 dist 6.29966 7.73752 9.57358 13.0702 7.84262 16.0071 numMergedOcc 0
17 mol 108 unq 5 iso 1 dist 9.57358 7.73752 6.29966 16.0071 7.84262 13.0702 numMergedOcc 0
18 mol 108 unq 6 iso 0 dist 6.29966 5.73135 5.38329 4.43985 7.52802 9.28947 numMergedOcc 0
19 mol 108 unq 6 iso 1 dist 5.38329 5.73135 6.29966 9.28947 7.52802 4.43985 numMergedOcc 0
20 mol 108 unq 7 iso 0 dist 6.29966 5.73135 5.38329 10.9562 8.1971 9.97408 numMergedOcc 0
21 mol 108 unq 7 iso 1 dist 5.38329 5.73135 6.29966 9.97408 8.1971 10.9562 numMergedOcc 0
22 mol 108 unq 8 iso 0 dist 6.29966 5.73135 5.38329 13.0702 7.84262 12.4008 numMergedOcc 0
23 mol 108 unq 8 iso 1 dist 5.38329 5.73135 6.29966 12.4008 7.84262 13.0702 numMergedOcc 0
24 mol 108 unq 3 iso 0 dist 9.31725 4.32759 9.57358 9.15007 7.52802 9.33094 numMergedOcc 0
25 mol 108 unq 3 iso 1 dist 9.57358 4.32759 9.31725 9.33094 7.52802 9.15007 numMergedOcc 0
26 mol 108 unq 4 iso 0 dist 9.31725 4.32759 9.57358 16.2146 8.1971 16.9607 numMergedOcc 0
27 mol 108 unq 4 iso 1 dist 9.57358 4.32759 9.31725 16.9607 8.1971 16.2146 numMergedOcc 0
28 mol 108 unq 5 iso 0 dist 9.31725 4.32759 9.57358 13.816 7.84262 16.0071 numMergedOcc 0
29 mol 108 unq 5 iso 1 dist 9.57358 4.32759 9.31725 16.0071 7.84262 13.816 numMergedOcc 0
30 mol 108 unq 6 iso 0 dist 9.31725 12.5027 5.38329 9.15007 7.52802 9.28947 numMergedOcc 0
31 mol 108 unq 6 iso 1 dist 5.38329 12.5027 9.31725 9.28947 7.52802 9.15007 numMergedOcc 0
32 mol 108 unq 7 iso 0 dist 9.31725 12.5027 5.38329 16.2146 8.1971 9.97408 numMergedOcc 0
33 mol 108 unq 7 iso 1 dist 5.38329 12.5027 9.31725 9.97408 8.1971 16.2146 numMergedOcc 0
34 mol 108 unq 8 iso 0 dist 9.31725 12.5027 5.38329 13.816 7.84262 12.4008 numMergedOcc 0
35 mol 108 unq 8 iso 1 dist 5.38329 12.5027 9.31725 12.4008 7.84262 13.816 numMergedOcc 0
36 mol 108 unq 6 iso 0 dist 9.57358 10.7754 5.38329 9.33094 7.52802 9.28947 numMergedOcc 0
37 mol 108 unq 6 iso 1 dist 5.38329 10.7754 9.57358 9.28947 7.52802 9.33094 numMergedOcc 0
38 mol 108 unq 7 iso 0 dist 9.57358 10.7754 5.38329 16.9607 8.1971 9.97408 numMergedOcc 0
39 mol 108 unq 7 iso 1 dist 5.38329 10.7754 9.57358 9.97408 8.1971 16.9607 numMergedOcc 0
40 mol 108 unq 8 iso 0 dist 9.57358 10.7754 5.38329 16.0071 7.84262 12.4008 numMergedOcc 0
41 mol 108 unq 8 iso 1 dist 5.38329 10.7754 9.57358 12.4008 7.84262 16.0071 numMergedOcc 0
42 mol 110 unq 0 iso 0 dist 7.1891 4.50939 7.67702 5.84646 7.24538 6.69022 numMergedOcc 0
43 mol 110 unq 0 iso 1 dist 7.67702 4.50939 7.1891 6.69022 7.24538 5.84646 numMergedOcc 0
44 mol 176 unq 0 iso 0 dist 6.02559 10.7245 8.12047 5.51189 9.2569 11.6571 numMergedOcc 0
45 mol 176 unq 0 iso 1 dist 8.12047 10.7245 6.02559 11.6571 9.2569 5.51189 numMergedOcc 0
46 mol 178 unq 0 iso 0 dist 9.56963 5.66064 5.95885 5.24683 7.69328 7.55512 numMergedOcc 0
47 mol 178 unq 0 iso 1 dist 5.95885 5.66064 9.56963 7.55512 7.69328 5.24683 numMergedOcc 0
48 mol 256 unq 0 iso 0 dist 6.07677 4.35953 7.56605 3.87452 9.66498 5.96499 numMergedOcc 0
49 mol 256 unq 0 iso 1 dist 7.56605 4.35953 6.07677 5.96499 9.66498 3.87452 numMergedOcc 0
50 mol 257 unq 0 iso 0 dist 8.42116 4.45719 8.53984 13.3046 6.75578 11.62 numMergedOcc 0
51 mol 257 unq 0 iso 1 dist 8.53984 4.45719 8.42116 11.62 6.75578 13.3046 numMergedOcc 0
52 mol 257 unq 1 iso 0 dist 8.42116 4.45719 8.53984 15.9268 9.29499 13.4207 numMergedOcc 0
53 mol 257 unq 1 iso 1 dist 8.53984 4.45719 8.42116 13.4207 9.29499 15.9268 numMergedOcc 0
54 mol 284 unq 0 iso 0 dist 8.45487 4.24841 8.72299 5.61341 9.08764 5.28356 numMergedOcc 0
55 mol 284 unq 0 iso 1 dist 8.72299 4.24841 8.45487 5.28356 9.08764 5.61341 numMergedOcc 0
56 mol 294 unq 0 iso 0 dist 5.02677 5.89 8.34193 9.80619 8.60714 10.7137 numMergedOcc 0
57 mol 294 unq 0 iso 1 dist 8.34193 5.89 5.02677 10.7137 8.60714 9.80619 numMergedOcc 0
