0 mol 26 unq 0 iso 0 dist 6.42206 7.34549 5.3315 13.9878 9.70778 12.1186 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.66602 9.72289 5.3315 19.215 9.70778 12.1186 numMergedOcc 0
2 mol 55 unq 0 iso 0 dist 7.03751 7.74108 5.39888 9.47026 8.96507 13.795 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.92027 6.56664 4.47138 11.273 7.34678 10.9948 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.92027 9.58156 10.9596 11.273 7.34678 13.1043 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 6.08756 7.99003 4.47138 5.2178 7.34678 10.9948 numMergedOcc 0
6 mol 62 unq 3 iso 0 dist 6.08756 9.52036 4.16095 5.2178 7.34678 9.46994 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 8.64534 6.65465 13.2118 6.22487 9.43893 12.4695 numMergedOcc 0
8 mol 78 unq 0 iso 0 dist 8.61468 9.45835 7.17843 10.4399 6.54185 11.9668 numMergedOcc 0
9 mol 78 unq 1 iso 0 dist 8.61468 9.45835 7.17843 14.263 9.68502 16.6921 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 9.04935 7.79726 12.1055 10.6431 5.69384 15.8449 numMergedOcc 0
11 mol 93 unq 0 iso 0 dist 8.84466 9.10877 12.5871 3.74136 8.42713 9.4523 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 9.2948 9.10877 13.6269 3.74136 8.21032 9.4523 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.28452 8.29529 14.0364 5.93237 6.20553 12.2216 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.70772 9.23551 10.5583 5.78019 6.4752 6.28351 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 8.93916 7.4653 8.95179 5.88056 6.4752 5.49226 numMergedOcc 0
16 mol 147 unq 2 iso 0 dist 8.93916 7.95564 11.4531 5.88056 6.4752 10.8047 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 7.76856 9.09857 10.6484 5.86572 5.76772 13.1902 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.94464 9.50454 9.32503 5.80934 9.91705 11.6558 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 8.94464 7.15963 13.2985 5.80934 9.91705 12.8948 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 4.43243 5.99137 4.15973 10.968 8.38439 8.50331 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 6.55866 7.05331 5.00269 10.3057 8.05859 12.8292 numMergedOcc 0
