0 mol 7 unq 0 iso 0 dist 9.45309 14.6308 6.14469 11.063 6.55304 6.02702 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.45309 14.6308 6.14469 13.0511 6.34041 8.72114 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.84341 12.3102 7.92012 12.5786 4.03817 9.78331 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 7.02884 12.9838 7.92012 8.48453 4.03817 9.78331 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.52676 9.5746 7.48846 7.16036 4.55437 9.6782 numMergedOcc 0
5 mol 65 unq 0 iso 0 dist 9.68286 8.24043 5.94206 9.9997 5.51708 6.72639 numMergedOcc 0
6 mol 65 unq 1 iso 0 dist 9.68286 8.24043 5.94206 13.6464 6.47381 6.76508 numMergedOcc 0
7 mol 65 unq 2 iso 0 dist 8.58416 4.91428 5.94206 11.2196 5.51708 6.72639 numMergedOcc 0
8 mol 65 unq 3 iso 0 dist 8.58416 4.91428 5.94206 9.38611 6.47381 6.76508 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 7.74952 3.98211 8.66165 7.47827 4.57085 9.30539 numMergedOcc 0
10 mol 91 unq 1 iso 0 dist 8.99674 12.4705 8.66165 12.2237 4.57085 9.30539 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 7.43804 12.9299 6.88901 10.671 7.06961 6.65501 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.79499 7.40519 9.5057 11.2324 10.6848 7.01812 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 8.79499 7.40519 9.5057 12.4098 15.3454 8.30845 numMergedOcc 0
14 mol 125 unq 0 iso 0 dist 8.6317 6.24872 6.11502 10.0521 6.40824 8.76789 numMergedOcc 0
15 mol 125 unq 1 iso 0 dist 8.6317 6.24872 6.11502 8.38646 9.20086 7.73435 numMergedOcc 0
16 mol 125 unq 2 iso 0 dist 8.6317 10.4668 6.33431 10.0521 6.40824 9.08382 numMergedOcc 0
17 mol 125 unq 3 iso 0 dist 8.6317 10.4668 6.33431 8.38646 9.20086 9.3778 numMergedOcc 0
18 mol 125 unq 4 iso 0 dist 8.6317 10.4668 6.33431 16.2517 9.44075 7.47069 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 6.97467 14.0762 8.21184 9.36561 5.81563 7.30357 numMergedOcc 0
20 mol 156 unq 1 iso 0 dist 6.97467 12.9439 5.9976 9.36561 5.81563 8.61587 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 5.6688 4.75774 7.22883 6.96824 6.29863 5.9176 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 5.11863 6.2568 7.54099 10.5459 8.08596 6.42735 numMergedOcc 0
23 mol 184 unq 1 iso 0 dist 5.92785 9.41221 7.54099 10.8079 8.08596 6.42735 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 7.27051 5.76622 6.60053 9.05666 12.717 8.77999 numMergedOcc 0
25 mol 192 unq 1 iso 0 dist 7.35424 5.76622 9.36796 9.05666 14.8459 8.77999 numMergedOcc 0
