0 mol 1 unq 0 iso 0 dist 7.83632 5.91417 3.81243 7.23571 9.69595 7.17521 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 7.83632 5.91417 3.81243 7.85894 10.4601 6.83338 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 7.83632 5.91417 3.81243 4.79161 11.6048 9.59537 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 6.50647 9.51568 5.20798 6.19131 6.03257 6.23015 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.63839 8.53931 5.38592 6.06874 8.88938 6.53269 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 6.63839 8.53931 5.38592 5.16935 10.4292 9.81524 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 6.15893 9.06516 5.29055 11.553 10.157 6.81793 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 6.15893 6.79475 6.64374 7.26595 7.35861 9.96912 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 5.497 9.06516 4.76998 11.553 6.56527 6.81793 numMergedOcc 0
9 mol 26 unq 3 iso 0 dist 5.497 6.79475 5.39199 7.26595 10.3969 9.96912 numMergedOcc 0
10 mol 27 unq 0 iso 0 dist 8.71752 6.78936 10.8132 4.39306 12.6391 5.9635 numMergedOcc 0
11 mol 27 unq 1 iso 0 dist 7.60283 6.78936 13.4461 4.39306 11.1731 5.9635 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 9.52272 6.52887 4.72639 5.80538 13.0901 8.65144 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 9.63599 6.52939 9.51372 6.49291 9.78384 7.43127 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 6.0129 4.44979 3.92737 10.2677 7.36769 9.25444 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 6.0129 4.44979 3.92737 5.71029 6.88901 8.46823 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 6.0129 6.61111 3.94967 10.2677 7.36769 9.84703 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 6.0129 6.61111 3.94967 5.71029 6.88901 4.62494 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 7.26955 9.08536 14.9264 15.4934 20.4776 8.67537 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 7.41399 8.55349 11.4316 11.5342 17.3163 8.83732 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 8.21165 8.55349 12.3375 11.5342 16.4974 8.83732 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 8.97945 8.55349 4.10674 11.5342 12.7754 8.83732 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 9.50664 8.55349 6.24625 11.5342 8.95662 8.83732 numMergedOcc 0
23 mol 133 unq 4 iso 0 dist 6.71555 8.55349 6.11861 11.5342 12.6757 8.83732 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 6.21403 5.73203 4.07076 12.2578 10.5367 7.83568 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 7.80054 7.30954 5.95858 6.09121 12.5323 8.86449 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 7.60254 7.06851 4.02702 4.77731 10.0169 9.42807 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 7.05653 9.09234 4.98436 11.5017 10.3104 8.12266 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 7.05653 6.76746 11.9796 7.30555 11.8933 5.99437 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 7.05653 8.92098 12.3589 11.5017 10.3104 9.43306 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 7.05653 8.92098 12.3589 7.30555 11.8933 8.4848 numMergedOcc 0
31 mol 194 unq 0 iso 0 dist 8.52969 7.10155 7.41775 4.26755 6.38324 9.00322 numMergedOcc 0
32 mol 194 unq 1 iso 0 dist 8.52969 6.11135 11.4789 4.34256 10.5479 9.32959 numMergedOcc 0
33 mol 194 unq 2 iso 0 dist 8.52969 6.11135 11.4789 4.79043 12.3845 8.64056 numMergedOcc 0
34 mol 267 unq 0 iso 0 dist 9.01354 5.08174 5.68457 10.0939 9.49204 6.27154 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.20749 6.66172 5.39432 12.625 10.083 9.65868 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 9.20749 6.66172 5.39432 4.60275 9.16942 8.60027 numMergedOcc 0
37 mol 279 unq 0 iso 0 dist 9.24367 6.0283 9.85432 9.09973 13.0066 7.17958 numMergedOcc 0
