0 mol 54 unq 0 iso 0 dist 7.18148 6.85941 8.75957 5.0478 10.1455 9.17082 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.12204 7.67964 5.27979 11.8816 10.1434 9.17082 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 9.11123 9.62296 6.21165 13.3993 5.77063 7.20249 numMergedOcc 0
3 mol 141 unq 0 iso 0 dist 5.35509 11.3904 9.59109 5.80081 3.80087 9.83945 numMergedOcc 0
4 mol 141 unq 1 iso 0 dist 5.35509 11.3904 9.59109 6.49728 3.80763 6.75376 numMergedOcc 0
5 mol 141 unq 2 iso 0 dist 5.35509 11.3904 9.59109 10.8969 9.98068 9.10042 numMergedOcc 0
6 mol 184 unq 0 iso 0 dist 7.79098 6.2568 7.02762 5.11863 4.12242 7.54099 numMergedOcc 0
7 mol 184 unq 1 iso 0 dist 6.30144 9.41221 7.02762 5.92785 4.12242 7.54099 numMergedOcc 0
8 mol 249 unq 0 iso 0 dist 6.32658 5.74889 8.76518 11.08 11.2713 5.9627 numMergedOcc 0
9 mol 256 unq 0 iso 0 dist 3.62582 5.05199 6.63831 5.17332 3.70808 4.98734 numMergedOcc 0
10 mol 256 unq 1 iso 0 dist 3.62582 5.05199 6.63831 9.83674 10.03 6.33496 numMergedOcc 0
11 mol 256 unq 2 iso 0 dist 3.62582 5.9572 8.08629 5.17332 3.70808 6.37963 numMergedOcc 0
12 mol 256 unq 3 iso 0 dist 3.62582 5.9572 8.08629 9.83674 10.03 6.00636 numMergedOcc 0
13 mol 256 unq 4 iso 0 dist 3.62582 10.1811 9.03979 5.17332 3.70808 8.16803 numMergedOcc 0
14 mol 256 unq 5 iso 0 dist 7.212 11.5159 9.23909 12.3943 7.27053 4.98734 numMergedOcc 0
15 mol 256 unq 6 iso 0 dist 7.212 11.5159 9.23909 7.53508 4.26681 6.33496 numMergedOcc 0
16 mol 256 unq 7 iso 0 dist 7.212 4.03381 9.16597 7.53508 4.26681 7.81448 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 8.56451 8.62524 6.12343 17.0873 9.82931 9.32954 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 6.23874 5.48793 9.23152 5.62568 5.9468 6.95912 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 6.23874 5.48793 9.23152 5.62568 5.9468 6.95912 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 6.23874 5.48793 9.23152 5.62568 5.9468 6.95912 numMergedOcc 0
