0 mol 13 unq 0 iso 0 dist 8.66515 11.1684 9.48239 6.6309 9.06342 5.69416 numMergedOcc 0
1 mol 13 unq 0 iso 1 dist 9.48239 11.1684 8.66515 5.69416 9.06342 6.6309 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.52145 12.7332 8.35776 9.74984 5.78231 11.3409 numMergedOcc 0
3 mol 32 unq 0 iso 1 dist 8.35776 12.7332 7.52145 11.3409 5.78231 9.74984 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 7.52145 12.7332 8.35776 7.27475 9.41538 8.8719 numMergedOcc 0
5 mol 32 unq 1 iso 1 dist 8.35776 12.7332 7.52145 8.8719 9.41538 7.27475 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 5.23167 4.92946 7.47607 6.37499 6.51901 9.79569 numMergedOcc 0
7 mol 62 unq 0 iso 1 dist 7.47607 4.92946 5.23167 9.79569 6.51901 6.37499 numMergedOcc 0
8 mol 62 unq 1 iso 0 dist 5.23167 4.92946 7.47607 11.7209 9.1926 13.1832 numMergedOcc 0
9 mol 62 unq 1 iso 1 dist 7.47607 4.92946 5.23167 13.1832 9.1926 11.7209 numMergedOcc 0
10 mol 90 unq 0 iso 0 dist 9.98861 10.3264 5.52904 8.14775 6.02596 4.03085 numMergedOcc 0
11 mol 90 unq 0 iso 1 dist 5.52904 10.3264 9.98861 4.03085 6.02596 8.14775 numMergedOcc 0
12 mol 90 unq 1 iso 0 dist 9.98861 10.3264 5.52904 14.9764 8.17454 4.99029 numMergedOcc 0
13 mol 90 unq 1 iso 1 dist 5.52904 10.3264 9.98861 4.99029 8.17454 14.9764 numMergedOcc 0
14 mol 123 unq 0 iso 0 dist 7.49032 3.86472 7.04627 4.20645 9.72421 6.60637 numMergedOcc 0
15 mol 123 unq 0 iso 1 dist 7.04627 3.86472 7.49032 6.60637 9.72421 4.20645 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 7.49032 3.86472 7.04627 9.0296 8.35926 6.33531 numMergedOcc 0
17 mol 123 unq 1 iso 1 dist 7.04627 3.86472 7.49032 6.33531 8.35926 9.0296 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 9.91021 7.87247 5.5917 8.63314 8.42277 4.81238 numMergedOcc 0
19 mol 129 unq 0 iso 1 dist 5.5917 7.87247 9.91021 4.81238 8.42277 8.63314 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 9.3032 15.5554 8.10451 10.4172 4.55528 10.3249 numMergedOcc 0
21 mol 194 unq 0 iso 1 dist 8.10451 15.5554 9.3032 10.3249 4.55528 10.4172 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 9.3032 15.5554 8.10451 13.6082 6.88386 6.55814 numMergedOcc 0
23 mol 194 unq 1 iso 1 dist 8.10451 15.5554 9.3032 6.55814 6.88386 13.6082 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 6.6747 11.9885 6.28412 10.3249 4.42095 6.65382 numMergedOcc 0
25 mol 194 unq 2 iso 1 dist 6.28412 11.9885 6.6747 6.65382 4.42095 10.3249 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 6.6747 11.9885 6.28412 6.55814 4.63898 8.25387 numMergedOcc 0
27 mol 194 unq 3 iso 1 dist 6.28412 11.9885 6.6747 8.25387 4.63898 6.55814 numMergedOcc 0
28 mol 194 unq 4 iso 0 dist 6.6747 11.9885 6.28412 14.9692 9.53641 4.09071 numMergedOcc 0
29 mol 194 unq 4 iso 1 dist 6.28412 11.9885 6.6747 4.09071 9.53641 14.9692 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 9.20906 14.8724 9.03099 6.79927 7.43884 12.1152 numMergedOcc 0
31 mol 266 unq 0 iso 1 dist 9.03099 14.8724 9.20906 12.1152 7.43884 6.79927 numMergedOcc 0
32 mol 281 unq 0 iso 0 dist 8.78416 9.67318 7.82358 4.88562 9.05453 5.91239 numMergedOcc 0
33 mol 281 unq 0 iso 1 dist 7.82358 9.67318 8.78416 5.91239 9.05453 4.88562 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 6.82335 3.83551 9.14005 11.0879 8.81999 14.7951 numMergedOcc 0
35 mol 294 unq 0 iso 1 dist 9.14005 3.83551 6.82335 14.7951 8.81999 11.0879 numMergedOcc 0
