0 mol 24 unq 0 iso 0 dist 9.54519 8.70141 4.33963 12.8473 11.2485 9.40479 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.54519 8.70141 4.33963 4.36056 11.9933 9.58012 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 5.9179 7.86269 8.89062 7.25581 10.684 7.51138 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 5.9179 7.86269 8.89062 11.1561 16.047 9.86843 numMergedOcc 0
4 mol 90 unq 2 iso 0 dist 5.9179 7.86269 8.89062 11.7919 15.0774 6.86146 numMergedOcc 0
5 mol 90 unq 3 iso 0 dist 5.9179 7.86269 8.89062 9.89859 13.5917 8.83296 numMergedOcc 0
6 mol 90 unq 4 iso 0 dist 9.34782 7.86269 10.1287 7.25581 15.1125 7.51138 numMergedOcc 0
7 mol 90 unq 5 iso 0 dist 9.34782 7.86269 10.1287 11.1561 17.0713 9.86843 numMergedOcc 0
8 mol 90 unq 6 iso 0 dist 9.34782 7.86269 10.1287 11.7919 15.8041 6.86146 numMergedOcc 0
9 mol 90 unq 7 iso 0 dist 9.34782 7.86269 10.1287 9.89859 10.7293 8.83296 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 7.53905 7.98999 11.7428 13.0525 17.8905 9.74569 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 7.15985 7.98999 3.98564 13.0525 13.2485 9.74569 numMergedOcc 0
12 mol 140 unq 0 iso 0 dist 9.6224 7.85653 5.11372 10.1665 10.6513 6.98813 numMergedOcc 0
13 mol 140 unq 1 iso 0 dist 9.6224 7.85653 5.11372 5.62223 8.64368 5.39314 numMergedOcc 0
14 mol 140 unq 2 iso 0 dist 9.6224 7.5639 4.46582 5.62223 8.64368 5.3573 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 6.23399 9.2042 6.55507 15.6002 14.5836 9.14458 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.07091 7.68295 5.487 14.0377 14.5662 9.75627 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.03995 9.93045 6.87725 9.52773 9.83476 8.12349 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 7.0843 5.72444 6.90702 5.77167 6.29367 8.93185 numMergedOcc 0
19 mol 218 unq 1 iso 0 dist 7.0843 5.72444 6.90702 7.54799 10.1924 8.22792 numMergedOcc 0
20 mol 218 unq 2 iso 0 dist 7.73315 5.72444 10.4526 5.77167 5.76954 8.93185 numMergedOcc 0
21 mol 218 unq 3 iso 0 dist 7.73315 5.72444 10.4526 7.54799 11.8666 8.22792 numMergedOcc 0
22 mol 218 unq 4 iso 0 dist 6.9398 5.72444 8.94041 5.77167 9.20961 8.93185 numMergedOcc 0
23 mol 218 unq 5 iso 0 dist 6.9398 5.72444 8.94041 7.54799 13.624 8.22792 numMergedOcc 0
24 mol 237 unq 0 iso 0 dist 9.42743 9.80232 6.01573 8.55836 10.065 7.31113 numMergedOcc 0
25 mol 237 unq 1 iso 0 dist 9.42743 9.80232 6.01573 6.08522 12.2153 9.84466 numMergedOcc 0
26 mol 237 unq 2 iso 0 dist 9.42743 6.18606 10.461 8.55836 10.065 8.10263 numMergedOcc 0
27 mol 237 unq 3 iso 0 dist 9.42743 6.18606 10.461 6.08522 12.2153 6.16557 numMergedOcc 0
28 mol 237 unq 4 iso 0 dist 9.5822 9.80232 13.1083 8.55836 11.4346 7.31113 numMergedOcc 0
29 mol 237 unq 5 iso 0 dist 9.5822 9.80232 13.1083 6.08522 7.42587 9.84466 numMergedOcc 0
30 mol 237 unq 6 iso 0 dist 9.5822 6.18606 6.23145 8.55836 11.4346 8.10263 numMergedOcc 0
31 mol 237 unq 7 iso 0 dist 9.5822 6.18606 6.23145 6.08522 7.42587 6.16557 numMergedOcc 0
32 mol 251 unq 0 iso 0 dist 8.39644 8.38382 14.7239 5.12873 13.3824 8.53757 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 7.36905 8.28871 4.48907 5.7394 7.52281 5.74568 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 6.83408 8.28871 10.1591 5.7394 6.42588 5.74568 numMergedOcc 0
