0 mol 1 unq 0 iso 0 dist 8.83387 7.95103 6.69458 7.58747 9.21329 4.95929 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.83387 7.95103 6.69458 6.38325 8.54277 5.11065 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.85305 8.75584 6.69458 10.2917 9.21329 4.95929 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 9.85305 8.75584 6.69458 4.69498 8.54277 5.11065 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.76233 7.08799 9.74528 9.12768 5.47299 9.67038 numMergedOcc 0
5 mol 17 unq 0 iso 0 dist 8.44037 4.67446 8.55161 9.13617 6.64199 5.67737 numMergedOcc 0
6 mol 17 unq 1 iso 0 dist 8.44037 4.67446 8.55161 4.88828 8.90155 8.04504 numMergedOcc 0
7 mol 28 unq 0 iso 0 dist 5.98169 7.98722 8.66738 13.5108 9.28621 12.2504 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 5.98169 7.98722 8.66738 5.51879 8.94643 6.81477 numMergedOcc 0
9 mol 28 unq 2 iso 0 dist 5.98169 7.98722 8.66738 11.3454 8.36195 5.88912 numMergedOcc 0
10 mol 32 unq 0 iso 0 dist 7.52145 14.6586 8.70331 5.64731 7.72377 12.2361 numMergedOcc 0
11 mol 32 unq 1 iso 0 dist 8.35776 5.87258 8.70331 12.3204 7.72377 12.2361 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 7.61514 5.55433 7.51319 9.04544 8.67342 4.74629 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 7.61514 5.55433 7.51319 4.11312 5.73739 7.39588 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.61514 15.3673 9.43839 9.04544 8.67342 17.9238 numMergedOcc 0
15 mol 85 unq 3 iso 0 dist 7.61514 15.3673 9.43839 4.11312 5.73739 13.3413 numMergedOcc 0
16 mol 85 unq 4 iso 0 dist 8.21116 15.6112 8.66427 9.04544 8.60062 15.4494 numMergedOcc 0
17 mol 85 unq 5 iso 0 dist 8.21116 15.6112 8.66427 4.11312 5.16225 11.5575 numMergedOcc 0
18 mol 85 unq 6 iso 0 dist 8.21116 5.55433 8.49887 9.04544 8.60062 4.74629 numMergedOcc 0
19 mol 85 unq 7 iso 0 dist 8.21116 5.55433 8.49887 4.11312 5.16225 7.39588 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.3776 6.27142 9.07315 4.91732 8.52131 9.01449 numMergedOcc 0
21 mol 176 unq 0 iso 0 dist 9.1617 7.86601 7.58281 12.7186 9.1728 5.94269 numMergedOcc 0
22 mol 182 unq 0 iso 0 dist 8.10542 7.44165 6.55146 6.94643 8.7486 10.7274 numMergedOcc 0
23 mol 182 unq 1 iso 0 dist 8.10542 7.44165 6.55146 10.0826 9.06707 9.79079 numMergedOcc 0
24 mol 182 unq 2 iso 0 dist 6.78641 6.72963 6.55146 7.78206 8.7486 10.7274 numMergedOcc 0
25 mol 182 unq 3 iso 0 dist 6.78641 6.72963 6.55146 3.94722 9.06707 9.79079 numMergedOcc 0
26 mol 185 unq 0 iso 0 dist 9.62449 4.97475 9.61525 9.44002 9.44685 4.94279 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 6.15671 5.61312 7.78392 5.97855 6.35772 4.37243 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 7.36685 13.3047 7.36137 8.13583 6.39822 6.69637 numMergedOcc 0
29 mol 266 unq 1 iso 0 dist 7.36685 13.3047 7.36137 4.80695 8.61077 11.9449 numMergedOcc 0
30 mol 266 unq 2 iso 0 dist 7.36685 5.66268 6.83784 8.13583 6.39822 5.60874 numMergedOcc 0
31 mol 266 unq 3 iso 0 dist 7.36685 5.66268 6.83784 4.80695 8.61077 5.50447 numMergedOcc 0
32 mol 266 unq 4 iso 0 dist 9.20906 9.22203 4.95415 10.2082 5.36518 6.69637 numMergedOcc 0
33 mol 266 unq 5 iso 0 dist 9.20906 9.22203 4.95415 13.6949 9.11585 11.9449 numMergedOcc 0
34 mol 266 unq 6 iso 0 dist 9.20906 9.32644 6.38519 10.2082 5.36518 5.60874 numMergedOcc 0
35 mol 266 unq 7 iso 0 dist 9.20906 9.32644 6.38519 13.6949 9.11585 5.50447 numMergedOcc 0
36 mol 266 unq 8 iso 0 dist 9.03099 13.3047 4.95415 8.13583 5.36518 6.69637 numMergedOcc 0
37 mol 266 unq 9 iso 0 dist 9.03099 13.3047 4.95415 4.80695 9.11585 11.9449 numMergedOcc 0
38 mol 266 unq 10 iso 0 dist 9.03099 5.66268 6.38519 8.13583 5.36518 5.60874 numMergedOcc 0
39 mol 266 unq 11 iso 0 dist 9.03099 5.66268 6.38519 4.80695 9.11585 5.50447 numMergedOcc 0
