0 mol 15 unq 0 iso 0 dist 8.85174 6.67334 9.51568 10.1154 6.23015 6.19131 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.48085 12.1492 8.53931 6.08585 6.53269 6.06874 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.48085 12.1492 8.53931 9.15781 9.81524 5.16935 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.49421 4.70708 8.53931 5.77929 6.53269 6.06874 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 9.49421 4.70708 8.53931 6.68639 9.81524 5.16935 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 6.04762 6.81793 11.553 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 9.12845 6.10146 9.96121 6.04762 6.81793 10.8434 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.66539 10.8078 7.03126 6.49081 9.02642 11.6859 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 8.66539 6.35371 9.68228 6.49081 9.02642 10.8453 numMergedOcc 0
9 mol 58 unq 2 iso 0 dist 5.38524 5.98837 7.03126 9.37804 9.02642 11.6859 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 5.38524 8.48255 9.68228 9.37804 9.02642 10.8453 numMergedOcc 0
11 mol 58 unq 4 iso 0 dist 8.69057 4.55117 7.03126 14.0374 9.02642 11.6859 numMergedOcc 0
12 mol 58 unq 5 iso 0 dist 8.69057 13.3401 9.68228 14.0374 9.02642 10.8453 numMergedOcc 0
13 mol 72 unq 0 iso 0 dist 9.55118 7.11552 5.4605 11.6378 7.58875 4.67641 numMergedOcc 0
14 mol 72 unq 1 iso 0 dist 9.55118 12.3903 6.1906 11.6378 7.58875 4.5168 numMergedOcc 0
15 mol 72 unq 2 iso 0 dist 9.55118 7.17489 6.7272 11.6378 7.58875 7.04549 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 9.76379 5.59971 6.52939 6.79583 7.43127 6.49291 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 7.06939 6.61299 9.39807 9.44576 6.87506 6.23341 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.10496 8.70415 6.61111 7.94178 9.84703 10.2677 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 5.10496 8.70415 6.61111 4.4057 4.62494 5.71029 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 9.64383 12.0058 4.44979 18.5442 9.25444 10.2677 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 9.64383 12.0058 4.44979 16.4267 8.46823 5.71029 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 5.92242 9.74284 6.61111 15.7178 9.84703 10.2677 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 5.92242 9.74284 6.61111 7.42446 4.62494 5.71029 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 7.54889 10.0962 4.44979 9.85543 9.25444 10.2677 numMergedOcc 0
25 mol 98 unq 7 iso 0 dist 7.54889 10.0962 4.44979 9.67482 8.46823 5.71029 numMergedOcc 0
26 mol 98 unq 8 iso 0 dist 5.2571 10.0962 6.61111 9.85543 9.84703 10.2677 numMergedOcc 0
27 mol 98 unq 9 iso 0 dist 5.2571 10.0962 6.61111 9.67482 4.62494 5.71029 numMergedOcc 0
28 mol 98 unq 10 iso 0 dist 7.78931 11.2452 4.44979 7.28361 9.25444 10.2677 numMergedOcc 0
29 mol 98 unq 11 iso 0 dist 7.78931 11.2452 4.44979 12.0974 8.46823 5.71029 numMergedOcc 0
30 mol 98 unq 12 iso 0 dist 8.7497 11.2452 6.61111 7.28361 9.84703 10.2677 numMergedOcc 0
31 mol 98 unq 13 iso 0 dist 8.7497 11.2452 6.61111 12.0974 4.62494 5.71029 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 9.05166 6.35364 8.91262 5.76986 8.72725 10.8329 numMergedOcc 0
33 mol 112 unq 1 iso 0 dist 5.56994 6.35364 6.12922 5.76986 6.11407 10.8329 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 8.95212 10.3457 6.13374 5.13589 8.67537 7.39626 numMergedOcc 0
35 mol 119 unq 1 iso 0 dist 8.95212 16.7975 9.08536 5.13589 8.67537 15.4934 numMergedOcc 0
36 mol 119 unq 2 iso 0 dist 6.99446 6.35763 6.13374 10.8661 8.67537 7.39626 numMergedOcc 0
37 mol 119 unq 3 iso 0 dist 6.99446 7.36192 9.08536 10.8661 8.67537 15.4934 numMergedOcc 0
38 mol 119 unq 4 iso 0 dist 7.64052 10.0197 6.13374 12.0175 8.67537 7.39626 numMergedOcc 0
39 mol 119 unq 5 iso 0 dist 7.64052 10.6679 9.08536 12.0175 8.67537 15.4934 numMergedOcc 0
40 mol 133 unq 0 iso 0 dist 8.77023 9.53782 8.55349 4.54648 8.83732 11.5342 numMergedOcc 0
41 mol 134 unq 0 iso 0 dist 9.10524 14.0644 5.73203 6.98221 7.83568 12.2578 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 9.00918 5.9915 5.73203 14.2198 7.83568 12.2578 numMergedOcc 0
43 mol 155 unq 0 iso 0 dist 8.97626 12.8482 7.29911 5.50031 9.16358 9.50478 numMergedOcc 0
44 mol 155 unq 1 iso 0 dist 8.97626 12.8482 7.29911 6.89781 9.24038 12.0574 numMergedOcc 0
45 mol 155 unq 2 iso 0 dist 8.97626 8.27726 5.36254 5.50031 9.16358 5.50045 numMergedOcc 0
46 mol 155 unq 3 iso 0 dist 8.97626 8.27726 5.36254 6.89781 9.24038 6.40403 numMergedOcc 0
47 mol 167 unq 0 iso 0 dist 6.84752 7.69326 7.30954 4.64019 8.86449 6.09121 numMergedOcc 0
48 mol 167 unq 1 iso 0 dist 7.86563 9.46955 7.30954 5.90938 8.86449 6.09121 numMergedOcc 0
49 mol 167 unq 2 iso 0 dist 7.02548 6.36909 7.30954 7.08726 8.86449 6.09121 numMergedOcc 0
50 mol 168 unq 0 iso 0 dist 6.02086 8.67522 7.06851 12.9045 9.42807 4.77731 numMergedOcc 0
51 mol 181 unq 0 iso 0 dist 6.64173 6.7991 9.09234 5.63555 8.12266 11.5017 numMergedOcc 0
52 mol 181 unq 1 iso 0 dist 9.01624 6.7991 6.76746 7.20191 5.99437 7.30555 numMergedOcc 0
53 mol 181 unq 2 iso 0 dist 9.55105 6.7991 8.92098 5.63555 9.43306 11.5017 numMergedOcc 0
54 mol 181 unq 3 iso 0 dist 9.55105 6.7991 8.92098 7.20191 8.4848 7.30555 numMergedOcc 0
55 mol 181 unq 4 iso 0 dist 5.05973 8.35755 6.76746 5.48529 5.99437 7.30555 numMergedOcc 0
56 mol 224 unq 0 iso 0 dist 8.08349 10.7113 5.73591 10.7174 5.05368 6.957 numMergedOcc 0
57 mol 224 unq 1 iso 0 dist 8.08349 11.4491 8.55345 10.7174 5.05368 7.16077 numMergedOcc 0
58 mol 224 unq 2 iso 0 dist 9.78218 11.4252 5.73591 6.51732 5.05368 6.957 numMergedOcc 0
59 mol 224 unq 3 iso 0 dist 9.78218 9.14568 8.55345 6.51732 5.05368 7.16077 numMergedOcc 0
60 mol 234 unq 0 iso 0 dist 7.81215 5.56749 9.11572 10.0059 7.77911 7.17691 numMergedOcc 0
61 mol 234 unq 1 iso 0 dist 7.81215 15.015 9.49229 10.0059 7.77911 6.51967 numMergedOcc 0
62 mol 234 unq 2 iso 0 dist 7.81215 12.1076 7.20293 10.0059 7.77911 4.51304 numMergedOcc 0
63 mol 234 unq 3 iso 0 dist 5.64285 8.0608 9.11572 5.08515 7.77911 7.17691 numMergedOcc 0
64 mol 234 unq 4 iso 0 dist 5.64285 5.34613 9.49229 5.08515 7.77911 6.51967 numMergedOcc 0
65 mol 234 unq 5 iso 0 dist 5.64285 6.29366 7.20293 5.08515 7.77911 4.51304 numMergedOcc 0
66 mol 267 unq 0 iso 0 dist 8.8293 7.11419 5.08174 9.14203 6.27154 10.0939 numMergedOcc 0
67 mol 267 unq 1 iso 0 dist 7.34981 6.45566 5.08174 8.37094 6.27154 10.0939 numMergedOcc 0
68 mol 273 unq 0 iso 0 dist 6.31969 7.00883 9.06937 7.81483 5.61969 6.2726 numMergedOcc 0
69 mol 273 unq 1 iso 0 dist 6.31969 7.00883 9.06937 7.92179 9.0277 5.33053 numMergedOcc 0
70 mol 274 unq 0 iso 0 dist 6.4611 5.31116 6.66172 9.5468 9.65868 12.625 numMergedOcc 0
71 mol 274 unq 1 iso 0 dist 6.4611 5.31116 6.66172 6.70925 8.60027 4.60275 numMergedOcc 0
72 mol 279 unq 0 iso 0 dist 6.35028 5.14235 8.92667 12.6502 7.17958 14.9504 numMergedOcc 0
73 mol 279 unq 1 iso 0 dist 6.35028 7.69081 6.0283 12.6502 7.17958 9.09973 numMergedOcc 0
