0 mol 0 unq 0 iso 0 dist 7.65806 9.99338 4.99728 9.15528 6.91778 9.14271 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.6994 8.13129 6.40255 15.8251 10.5702 9.14271 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 7.15528 9.07223 6.40255 12.6486 10.5702 9.14271 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 9.60499 7.5706 10.5551 8.43473 6.02702 6.04832 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 8.41585 6.28925 10.6847 5.03847 10.3148 6.04832 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 7.10621 8.70159 4.87279 13.8829 8.72114 6.04832 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 9.64147 12.4741 7.38744 numMergedOcc 0
7 mol 15 unq 1 iso 0 dist 8.38064 7.876 5.88545 4.29582 7.07399 9.41935 numMergedOcc 0
8 mol 15 unq 2 iso 0 dist 9.97507 7.876 8.20465 9.64147 13.6763 7.38744 numMergedOcc 0
9 mol 15 unq 3 iso 0 dist 9.97507 7.876 8.20465 4.29582 11.7302 9.41935 numMergedOcc 0
10 mol 15 unq 4 iso 0 dist 6.82505 8.63502 8.20465 10.7474 13.6763 7.38744 numMergedOcc 0
11 mol 15 unq 5 iso 0 dist 6.82505 8.63502 8.20465 8.72342 11.7302 9.41935 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 9.5589 7.56581 8.17454 6.4484 10.435 7.04671 numMergedOcc 0
13 mol 54 unq 1 iso 0 dist 6.83299 9.22021 8.17454 9.96705 10.435 7.04671 numMergedOcc 0
14 mol 85 unq 0 iso 0 dist 7.47541 7.07868 9.87083 4.65335 10.0796 8.60839 numMergedOcc 0
15 mol 85 unq 1 iso 0 dist 7.66905 7.07868 11.3372 4.65335 7.54568 8.60839 numMergedOcc 0
16 mol 85 unq 2 iso 0 dist 5.73196 7.07868 4.60756 4.65335 9.39864 8.60839 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 6.12107 12.0685 8.95014 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 8.87449 4.5985 5.1283 5.42531 10.9242 6.84692 numMergedOcc 0
19 mol 100 unq 2 iso 0 dist 8.87449 4.5985 5.1283 4.86592 10.8527 5.74152 numMergedOcc 0
20 mol 100 unq 3 iso 0 dist 7.17106 8.20656 8.07089 12.5531 9.1361 8.95014 numMergedOcc 0
21 mol 100 unq 4 iso 0 dist 7.17106 8.20656 8.07089 8.4128 7.01812 6.84692 numMergedOcc 0
22 mol 100 unq 5 iso 0 dist 7.17106 8.20656 8.07089 7.96533 10.4538 5.74152 numMergedOcc 0
23 mol 100 unq 6 iso 0 dist 9.35224 7.5951 6.35939 4.97045 10.0635 6.87566 numMergedOcc 0
24 mol 100 unq 7 iso 0 dist 6.56369 7.5951 4.46114 4.97045 8.76378 6.87566 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 6.29155 4.51266 5.47259 4.54648 6.16242 6.49688 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 6.80239 4.51266 4.70102 4.54648 5.87634 6.49688 numMergedOcc 0
27 mol 133 unq 2 iso 0 dist 7.11802 9.64695 6.56917 12.538 10.9061 6.49688 numMergedOcc 0
28 mol 133 unq 3 iso 0 dist 8.00618 4.51266 6.56917 4.54648 10.9061 6.49688 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 9.29945 6.95549 5.32538 5.74662 11.2642 7.41985 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 7.81386 8.47008 7.45927 5.63555 10.4943 6.2176 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 7.63312 8.47008 5.83639 5.63555 5.9176 6.2176 numMergedOcc 0
32 mol 206 unq 0 iso 0 dist 7.7366 5.52084 9.81596 4.62682 11.6096 5.80674 numMergedOcc 0
33 mol 230 unq 0 iso 0 dist 6.7547 5.31963 4.98428 5.0515 10.3657 9.05585 numMergedOcc 0
34 mol 234 unq 0 iso 0 dist 8.34494 7.72403 10.3378 13.8349 18.7983 9.38888 numMergedOcc 0
35 mol 234 unq 1 iso 0 dist 6.56247 7.72403 8.83842 13.8349 17.6227 9.38888 numMergedOcc 0
36 mol 234 unq 2 iso 0 dist 9.36357 7.72403 5.43327 13.8349 12.6238 9.38888 numMergedOcc 0
37 mol 234 unq 3 iso 0 dist 9.45496 6.35438 8.83842 10.0059 17.6227 9.38888 numMergedOcc 0
38 mol 234 unq 4 iso 0 dist 6.7625 6.35438 5.43327 10.0059 12.6238 9.38888 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 6.16342 5.45139 4.86449 11.169 11.308 6.85567 numMergedOcc 0
40 mol 256 unq 0 iso 0 dist 8.29103 9.72168 12.0476 11.578 15.1646 6.65749 numMergedOcc 0
41 mol 256 unq 1 iso 0 dist 8.29103 9.72168 12.0476 7.7384 12.7661 4.73652 numMergedOcc 0
42 mol 258 unq 0 iso 0 dist 6.60405 8.14531 4.88549 5.63675 7.21311 7.05518 numMergedOcc 0
43 mol 258 unq 1 iso 0 dist 6.42289 8.14531 10.8069 5.63675 11.2102 7.05518 numMergedOcc 0
44 mol 273 unq 0 iso 0 dist 6.92774 6.70271 5.93427 9.25493 12.8175 8.25037 numMergedOcc 0
45 mol 273 unq 1 iso 0 dist 9.01049 9.82018 11.528 4.60101 11.6152 6.83684 numMergedOcc 0
46 mol 273 unq 2 iso 0 dist 9.01049 6.70271 5.29565 9.25493 8.49177 8.25037 numMergedOcc 0
47 mol 273 unq 3 iso 0 dist 9.2983 6.70271 11.0848 9.25493 12.7219 8.25037 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 7.56915 6.92434 5.87456 5.29529 8.52587 5.0002 numMergedOcc 0
49 mol 274 unq 1 iso 0 dist 8.49997 6.92434 8.58007 5.29529 11.6126 5.0002 numMergedOcc 0
