0 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 6.04762 6.81793 11.553 14.8894 9.56136 6.79475 9.82888 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 8.66539 10.8078 7.03126 6.49081 9.02642 11.6859 12.2304 3.6461 7.60018 11.5677 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 5.38524 5.98837 7.03126 9.37804 9.02642 11.6859 8.41778 3.6461 7.60018 11.5677 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 8.69057 4.55117 7.03126 14.0374 9.02642 11.6859 9.97819 3.6461 7.60018 11.5677 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.55118 7.11552 5.4605 11.6378 7.58875 4.67641 10.7102 5.17981 9.37102 11.7561 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 9.55118 7.11552 5.4605 11.6378 7.58875 4.67641 12.111 4.85556 6.53824 6.91169 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 9.55118 12.3903 6.1906 11.6378 7.58875 4.5168 10.7102 5.17981 8.8184 11.7561 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 9.55118 12.3903 6.1906 11.6378 7.58875 4.5168 13.641 4.86472 8.70809 9.52749 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 9.55118 12.3903 6.1906 11.6378 7.58875 4.5168 12.111 4.85556 7.67686 6.91169 numMergedOcc 0
9 mol 72 unq 5 iso 0 dist 9.55118 7.17489 6.7272 11.6378 7.58875 7.04549 10.7102 5.17981 7.93683 11.7561 numMergedOcc 0
10 mol 72 unq 6 iso 0 dist 9.55118 7.17489 6.7272 11.6378 7.58875 7.04549 9.10345 9.20237 7.64009 14.0067 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.10496 8.70415 6.61111 7.94178 9.84703 10.2677 9.81956 6.70343 4.44979 9.25444 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.10496 8.70415 6.61111 4.4057 4.62494 5.71029 9.81956 6.70343 4.44979 8.46823 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 9.64383 12.0058 4.44979 18.5442 9.25444 10.2677 14.0897 6.70343 6.61111 9.84703 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 9.64383 12.0058 4.44979 16.4267 8.46823 5.71029 14.0897 6.70343 6.61111 4.62494 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 5.92242 9.74284 6.61111 15.7178 9.84703 10.2677 10.8223 6.70343 4.44979 9.25444 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 5.92242 9.74284 6.61111 7.42446 4.62494 5.71029 10.8223 6.70343 4.44979 8.46823 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 7.54889 10.0962 4.44979 9.85543 9.25444 10.2677 5.2571 6.70343 6.61111 9.84703 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 7.54889 10.0962 4.44979 9.67482 8.46823 5.71029 5.2571 6.70343 6.61111 4.62494 numMergedOcc 0
19 mol 98 unq 8 iso 0 dist 5.2571 10.0962 6.61111 9.85543 9.84703 10.2677 7.54889 6.70343 4.44979 9.25444 numMergedOcc 0
20 mol 98 unq 9 iso 0 dist 5.2571 10.0962 6.61111 9.67482 4.62494 5.71029 7.54889 6.70343 4.44979 8.46823 numMergedOcc 0
21 mol 98 unq 10 iso 0 dist 7.78931 11.2452 4.44979 7.28361 9.25444 10.2677 8.7497 6.70343 6.61111 9.84703 numMergedOcc 0
22 mol 98 unq 11 iso 0 dist 7.78931 11.2452 4.44979 12.0974 8.46823 5.71029 8.7497 6.70343 6.61111 4.62494 numMergedOcc 0
23 mol 98 unq 12 iso 0 dist 8.7497 11.2452 6.61111 7.28361 9.84703 10.2677 7.78931 6.70343 4.44979 9.25444 numMergedOcc 0
24 mol 98 unq 13 iso 0 dist 8.7497 11.2452 6.61111 12.0974 4.62494 5.71029 7.78931 6.70343 4.44979 8.46823 numMergedOcc 0
25 mol 112 unq 0 iso 0 dist 9.05166 6.35364 8.91262 5.76986 8.72725 10.8329 5.56994 5.11 6.12922 6.11407 numMergedOcc 0
26 mol 112 unq 1 iso 0 dist 5.56994 6.35364 6.12922 5.76986 6.11407 10.8329 9.05166 5.11 8.91262 8.72725 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.95212 16.7975 9.08536 5.13589 8.67537 15.4934 20.5378 12.7135 6.55202 20.5375 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 6.99446 7.36192 9.08536 10.8661 8.67537 15.4934 11.2897 12.7135 6.55202 20.5375 numMergedOcc 0
29 mol 119 unq 2 iso 0 dist 7.64052 10.6679 9.08536 12.0175 8.67537 15.4934 12.31 12.7135 6.55202 20.5375 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 9.10524 14.0644 5.73203 6.98221 7.83568 12.2578 10.6728 4.87973 6.57379 12.0743 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 9.00918 5.9915 5.73203 14.2198 7.83568 12.2578 7.99477 4.87973 6.57379 12.0743 numMergedOcc 0
32 mol 167 unq 0 iso 0 dist 6.84752 7.69326 7.30954 4.64019 8.86449 6.09121 10.5499 6.81449 9.1326 12.89 numMergedOcc 0
33 mol 167 unq 1 iso 0 dist 7.86563 9.46955 7.30954 5.90938 8.86449 6.09121 14.1851 6.81449 9.1326 12.89 numMergedOcc 0
34 mol 167 unq 2 iso 0 dist 7.02548 6.36909 7.30954 7.08726 8.86449 6.09121 7.20495 6.81449 9.1326 12.89 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 6.64173 6.7991 9.09234 5.63555 8.12266 11.5017 9.01624 11.196 6.76746 10.5303 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 6.64173 6.7991 9.09234 5.63555 8.12266 11.5017 9.55105 10.1041 8.92098 9.43306 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 9.01624 6.7991 6.76746 7.20191 5.99437 7.30555 6.64173 11.196 9.09234 12.6232 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 9.01624 6.7991 6.76746 7.20191 5.99437 7.30555 9.55105 3.55187 8.92098 8.4848 numMergedOcc 0
39 mol 181 unq 4 iso 0 dist 9.55105 6.7991 8.92098 5.63555 9.43306 11.5017 6.64173 10.1041 9.09234 8.12266 numMergedOcc 0
40 mol 181 unq 5 iso 0 dist 9.55105 6.7991 8.92098 5.63555 9.43306 11.5017 9.01624 3.55187 6.76746 10.5303 numMergedOcc 0
41 mol 181 unq 6 iso 0 dist 9.55105 6.7991 8.92098 7.20191 8.4848 7.30555 6.64173 10.1041 9.09234 12.6232 numMergedOcc 0
42 mol 181 unq 7 iso 0 dist 9.55105 6.7991 8.92098 7.20191 8.4848 7.30555 9.01624 3.55187 6.76746 5.99437 numMergedOcc 0
43 mol 181 unq 8 iso 0 dist 5.05973 8.35755 6.76746 5.48529 5.99437 7.30555 15.3823 11.196 9.09234 12.6232 numMergedOcc 0
44 mol 181 unq 9 iso 0 dist 5.05973 8.35755 6.76746 5.48529 5.99437 7.30555 8.40951 3.55187 8.92098 8.4848 numMergedOcc 0
45 mol 267 unq 0 iso 0 dist 8.8293 7.11419 5.08174 9.14203 6.27154 10.0939 9.33497 11.3792 6.32877 15.858 numMergedOcc 0
46 mol 267 unq 1 iso 0 dist 8.8293 7.11419 5.08174 9.14203 6.27154 10.0939 14.4164 13.5886 9.48115 19.1755 numMergedOcc 0
47 mol 267 unq 2 iso 0 dist 8.8293 7.11419 5.08174 9.14203 6.27154 10.0939 15.0638 7.9327 8.38545 13.6048 numMergedOcc 0
48 mol 267 unq 3 iso 0 dist 8.8293 7.11419 5.08174 9.14203 6.27154 10.0939 11.5802 3.51278 6.10838 9.32688 numMergedOcc 0
49 mol 267 unq 4 iso 0 dist 7.34981 6.45566 5.08174 8.37094 6.27154 10.0939 10.3168 11.3792 6.32877 15.858 numMergedOcc 0
50 mol 267 unq 5 iso 0 dist 7.34981 6.45566 5.08174 8.37094 6.27154 10.0939 15.2499 13.5886 9.48115 19.1755 numMergedOcc 0
51 mol 267 unq 6 iso 0 dist 7.34981 6.45566 5.08174 8.37094 6.27154 10.0939 11.8835 7.9327 8.38545 13.6048 numMergedOcc 0
52 mol 267 unq 7 iso 0 dist 7.34981 6.45566 5.08174 8.37094 6.27154 10.0939 10.316 3.51278 6.10838 9.32688 numMergedOcc 0
