0 mol 56 unq 0 iso 0 dist 9.52763 7.23914 4.86374 3.63144 9.78973 5.84875 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.34078 6.94351 5.29167 16.3671 13.0546 9.43355 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.34078 6.94351 5.29167 5.83238 10.6525 7.9327 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 6.23298 5.70192 5.52457 4.31746 6.58279 9.0008 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 9.85405 7.65646 5.52457 7.58981 6.58279 9.0008 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.93688 7.57958 5.02124 11.6798 7.2131 7.1539 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.93688 7.57958 5.02124 12.656 7.44343 5.39745 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 6.97361 7.90328 5.07584 12.9454 12.0785 7.09065 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 8.52125 7.90328 7.59628 12.9454 9.95103 7.09065 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 6.71671 8.42487 4.95298 4.1431 9.5002 9.07734 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 5.28955 9.47892 8.00732 4.09788 6.13508 7.26955 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.46716 9.9492 6.50232 6.3462 5.75595 6.46089 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 6.60739 8.07915 6.94302 5.03347 10.5563 8.28564 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 9.22427 8.07915 12.3565 5.03347 13.1367 8.28564 numMergedOcc 0
14 mol 148 unq 2 iso 0 dist 5.55129 8.07915 5.58057 5.03347 7.32163 8.28564 numMergedOcc 0
15 mol 150 unq 0 iso 0 dist 6.71763 7.97801 6.83379 4.80033 10.5647 8.39475 numMergedOcc 0
16 mol 150 unq 1 iso 0 dist 9.32504 7.97801 12.2713 4.80033 13.062 8.39475 numMergedOcc 0
17 mol 150 unq 2 iso 0 dist 5.53778 7.97801 5.55906 4.80033 7.42372 8.39475 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.13872 8.45395 9.80135 12.0718 10.0499 9.06217 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.13872 5.41368 4.97806 12.0718 10.0499 7.13252 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.71223 9.08641 14.6658 5.18732 13.6647 9.84492 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 7.99525 7.79085 5.30261 9.77057 9.92671 7.10413 numMergedOcc 0
22 mol 232 unq 1 iso 0 dist 9.20965 6.48753 5.30261 9.30551 9.92671 7.10413 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 8.38742 7.19662 4.69096 10.383 12.1073 9.25517 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 8.28364 7.77265 6.88405 3.87679 10.5262 7.12785 numMergedOcc 0
25 mol 243 unq 1 iso 0 dist 8.28364 9.65322 12.946 3.87679 10.5262 6.66959 numMergedOcc 0
26 mol 273 unq 0 iso 0 dist 9.52454 9.79283 6.32601 13.9497 14.4434 8.85779 numMergedOcc 0
