0 mol 26 unq 0 iso 0 dist 9.90986 14.3129 9.12845 6.77783 9.06516 14.1424 14.288 6.81793 6.04762 11.553 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.90986 14.3129 9.12845 11.7823 9.96121 6.10146 14.288 6.81793 6.04762 10.8434 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.43496 9.56471 7.06939 15.7577 9.39807 6.61299 15.7834 6.87506 9.44576 6.23341 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 5.33961 11.1668 9.64383 4.45424 4.44979 12.0058 11.2155 9.25444 18.5442 10.2677 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.33961 11.1668 9.64383 4.45424 4.44979 12.0058 9.96465 8.46823 16.4267 5.71029 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 5.33961 12.7318 7.54889 4.45424 4.44979 10.0962 11.2155 9.25444 9.85543 10.2677 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 5.33961 12.7318 7.54889 4.45424 4.44979 10.0962 9.96465 8.46823 9.67482 5.71029 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 5.33961 12.3835 7.78931 4.45424 4.44979 11.2452 11.2155 9.25444 7.28361 10.2677 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 5.33961 12.3835 7.78931 4.45424 4.44979 11.2452 9.96465 8.46823 12.0974 5.71029 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 8.3505 4.75138 5.10496 12.8333 6.61111 8.70415 11.9783 9.84703 7.94178 10.2677 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 8.3505 4.75138 5.10496 12.8333 6.61111 8.70415 7.43001 4.62494 4.4057 5.71029 numMergedOcc 0
11 mol 98 unq 8 iso 0 dist 8.3505 10.4417 5.92242 12.8333 6.61111 9.74284 11.9783 9.84703 15.7178 10.2677 numMergedOcc 0
12 mol 98 unq 9 iso 0 dist 8.3505 10.4417 5.92242 12.8333 6.61111 9.74284 7.43001 4.62494 7.42446 5.71029 numMergedOcc 0
13 mol 98 unq 10 iso 0 dist 8.3505 11.3628 5.2571 12.8333 6.61111 10.0962 11.9783 9.84703 9.85543 10.2677 numMergedOcc 0
14 mol 98 unq 11 iso 0 dist 8.3505 11.3628 5.2571 12.8333 6.61111 10.0962 7.43001 4.62494 9.67482 5.71029 numMergedOcc 0
15 mol 98 unq 12 iso 0 dist 8.3505 13.9599 8.7497 12.8333 6.61111 11.2452 11.9783 9.84703 7.28361 10.2677 numMergedOcc 0
16 mol 98 unq 13 iso 0 dist 8.3505 13.9599 8.7497 12.8333 6.61111 11.2452 7.43001 4.62494 12.0974 5.71029 numMergedOcc 0
17 mol 98 unq 14 iso 0 dist 9.29816 5.70962 9.64383 9.31771 4.44979 12.0058 18.3829 9.25444 18.5442 10.2677 numMergedOcc 0
18 mol 98 unq 15 iso 0 dist 9.29816 5.70962 9.64383 9.31771 4.44979 12.0058 13.7832 8.46823 16.4267 5.71029 numMergedOcc 0
19 mol 98 unq 16 iso 0 dist 9.29816 14.676 7.54889 9.31771 4.44979 10.0962 18.3829 9.25444 9.85543 10.2677 numMergedOcc 0
20 mol 98 unq 17 iso 0 dist 9.29816 14.676 7.54889 9.31771 4.44979 10.0962 13.7832 8.46823 9.67482 5.71029 numMergedOcc 0
21 mol 98 unq 18 iso 0 dist 9.29816 16.3389 7.78931 9.31771 4.44979 11.2452 18.3829 9.25444 7.28361 10.2677 numMergedOcc 0
22 mol 98 unq 19 iso 0 dist 9.29816 16.3389 7.78931 9.31771 4.44979 11.2452 13.7832 8.46823 12.0974 5.71029 numMergedOcc 0
23 mol 98 unq 20 iso 0 dist 5.08983 10.1978 9.64383 9.47873 4.44979 12.0058 9.51607 9.25444 18.5442 10.2677 numMergedOcc 0
24 mol 98 unq 21 iso 0 dist 5.08983 10.1978 9.64383 9.47873 4.44979 12.0058 12.5752 8.46823 16.4267 5.71029 numMergedOcc 0
25 mol 98 unq 22 iso 0 dist 5.08983 7.1452 7.54889 9.47873 4.44979 10.0962 9.51607 9.25444 9.85543 10.2677 numMergedOcc 0
26 mol 98 unq 23 iso 0 dist 5.08983 7.1452 7.54889 9.47873 4.44979 10.0962 12.5752 8.46823 9.67482 5.71029 numMergedOcc 0
27 mol 98 unq 24 iso 0 dist 5.08983 4.96747 7.78931 9.47873 4.44979 11.2452 9.51607 9.25444 7.28361 10.2677 numMergedOcc 0
28 mol 98 unq 25 iso 0 dist 5.08983 4.96747 7.78931 9.47873 4.44979 11.2452 12.5752 8.46823 12.0974 5.71029 numMergedOcc 0
29 mol 112 unq 0 iso 0 dist 4.77996 4.34071 5.56994 6.40435 6.12922 6.35364 6.43704 6.11407 5.76986 10.8329 numMergedOcc 0
30 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 8.63858 7.29911 12.8482 8.61147 9.16358 5.50031 9.50478 numMergedOcc 0
31 mol 155 unq 1 iso 0 dist 7.25009 10.4606 8.97626 8.63858 7.29911 12.8482 5.45915 9.24038 6.89781 12.0574 numMergedOcc 0
32 mol 155 unq 2 iso 0 dist 7.25009 10.4606 8.97626 4.40049 5.36254 8.27726 8.61147 9.16358 5.50031 5.50045 numMergedOcc 0
33 mol 155 unq 3 iso 0 dist 7.25009 10.4606 8.97626 4.40049 5.36254 8.27726 5.45915 9.24038 6.89781 6.40403 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 6.48993 6.64464 6.84752 4.0737 7.30954 7.69326 4.43501 8.86449 4.64019 6.09121 numMergedOcc 0
35 mol 167 unq 1 iso 0 dist 6.48993 5.70785 7.86563 4.0737 7.30954 9.46955 4.43501 8.86449 5.90938 6.09121 numMergedOcc 0
36 mol 167 unq 2 iso 0 dist 6.48993 7.91498 7.02548 4.0737 7.30954 6.36909 4.43501 8.86449 7.08726 6.09121 numMergedOcc 0
37 mol 168 unq 0 iso 0 dist 7.30338 12.1014 6.02086 6.39941 7.06851 8.67522 4.10406 9.42807 12.9045 4.77731 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 8.89714 8.50795 6.31969 14.6301 9.06937 7.00883 13.9497 5.61969 7.81483 6.2726 numMergedOcc 0
39 mol 273 unq 1 iso 0 dist 8.89714 8.50795 6.31969 14.6301 9.06937 7.00883 15.8207 9.0277 7.92179 5.33053 numMergedOcc 0
40 mol 274 unq 0 iso 0 dist 4.97796 4.56913 6.4611 5.95459 6.66172 5.31116 6.70266 9.65868 9.5468 12.625 numMergedOcc 0
41 mol 274 unq 1 iso 0 dist 4.97796 4.56913 6.4611 5.95459 6.66172 5.31116 5.15747 8.60027 6.70925 4.60275 numMergedOcc 0
42 mol 279 unq 0 iso 0 dist 7.59142 11.6042 6.35028 13.1267 8.92667 5.14235 4.01471 7.17958 12.6502 14.9504 numMergedOcc 0
43 mol 279 unq 1 iso 0 dist 7.59142 11.6042 6.35028 6.7711 6.0283 7.69081 4.01471 7.17958 12.6502 9.09973 numMergedOcc 0
