0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 6.40255 8.13129 9.07223 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 9.6994 7.19817 6.40255 9.07223 8.13129 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 9.62879 8.4069 4.41134 5.89134 10.4604 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 8.20465 7.876 8.63502 numMergedOcc 0
4 mol 15 unq 1 iso 0 dist 6.82505 9.97507 5.17568 8.20465 8.63502 7.876 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 4.54938 8.4674 7.67038 8.33878 7.97324 14.6813 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 4.54938 7.82074 5.03957 8.33878 7.97324 10.9181 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 6.864 4.51865 7.67038 11.8689 7.97324 14.6813 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 7.72775 9.61998 15.8896 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 5.54797 8.92291 6.79185 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 5.54797 8.92291 8.37962 numMergedOcc 0
11 mol 43 unq 2 iso 0 dist 6.20293 5.73819 5.06502 5.54797 6.79185 8.92291 numMergedOcc 0
12 mol 43 unq 3 iso 0 dist 6.20293 8.93915 6.45462 5.54797 6.79185 8.37962 numMergedOcc 0
13 mol 43 unq 4 iso 0 dist 8.93915 5.73819 5.89973 5.54797 8.37962 8.92291 numMergedOcc 0
14 mol 43 unq 5 iso 0 dist 8.93915 6.20293 6.45462 5.54797 8.37962 6.79185 numMergedOcc 0
15 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 8.17454 7.56581 9.22021 numMergedOcc 0
16 mol 54 unq 1 iso 0 dist 9.5589 8.10861 16.3192 8.17454 7.56581 14.1587 numMergedOcc 0
17 mol 54 unq 2 iso 0 dist 6.83299 9.5589 5.08001 8.17454 9.22021 7.56581 numMergedOcc 0
18 mol 54 unq 3 iso 0 dist 6.83299 8.10861 14.2075 8.17454 9.22021 14.1587 numMergedOcc 0
19 mol 59 unq 0 iso 0 dist 7.17396 9.21998 6.05545 5.64744 8.49118 12.672 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 4.45372 8.96978 11.4456 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 7.9151 9.33919 9.79143 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 7.9151 9.33919 6.43377 numMergedOcc 0
23 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 7.9151 9.79143 9.33919 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 7.9151 9.79143 6.43377 numMergedOcc 0
25 mol 73 unq 4 iso 0 dist 8.70481 9.96396 14.9342 7.9151 6.43377 9.33919 numMergedOcc 0
26 mol 73 unq 5 iso 0 dist 8.70481 6.19304 13.3558 7.9151 6.43377 9.79143 numMergedOcc 0
27 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 10.4545 9.30021 5.62635 numMergedOcc 0
28 mol 85 unq 1 iso 0 dist 7.47541 7.97049 6.9948 10.4545 5.62635 9.30021 numMergedOcc 0
29 mol 85 unq 2 iso 0 dist 7.47541 7.97049 6.9948 9.87083 7.07868 13.5621 numMergedOcc 0
30 mol 85 unq 3 iso 0 dist 6.19965 7.95579 4.26409 12.3178 9.30021 13.2368 numMergedOcc 0
31 mol 85 unq 4 iso 0 dist 6.19965 7.66905 6.9948 12.3178 9.30021 5.62635 numMergedOcc 0
32 mol 85 unq 5 iso 0 dist 7.66905 7.95579 10.7229 12.3178 5.62635 13.2368 numMergedOcc 0
33 mol 85 unq 6 iso 0 dist 7.66905 7.95579 10.7229 11.3372 7.07868 17.1126 numMergedOcc 0
34 mol 85 unq 7 iso 0 dist 7.66905 6.19965 6.9948 12.3178 5.62635 9.30021 numMergedOcc 0
35 mol 85 unq 8 iso 0 dist 7.66905 6.19965 6.9948 11.3372 7.07868 13.5621 numMergedOcc 0
36 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 6.81076 6.066 9.36032 numMergedOcc 0
37 mol 88 unq 1 iso 0 dist 8.31336 9.36773 5.57085 6.81076 9.36032 6.066 numMergedOcc 0
38 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 8.07089 8.20656 12.5743 numMergedOcc 0
39 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 8.07089 8.20656 14.6339 numMergedOcc 0
40 mol 100 unq 2 iso 0 dist 9.35224 9.60661 7.80879 6.35939 7.5951 10.8753 numMergedOcc 0
41 mol 100 unq 3 iso 0 dist 9.35224 7.17106 8.87654 6.35939 7.5951 10.6599 numMergedOcc 0
42 mol 100 unq 4 iso 0 dist 6.56369 7.47343 12.6515 4.46114 7.5951 10.653 numMergedOcc 0
43 mol 100 unq 5 iso 0 dist 6.56369 6.65086 7.80879 4.46114 7.5951 10.8753 numMergedOcc 0
44 mol 100 unq 6 iso 0 dist 6.56369 9.30209 6.39938 4.46114 7.5951 12.2292 numMergedOcc 0
45 mol 117 unq 0 iso 0 dist 7.90328 7.83136 7.22206 11.1062 8.2236 11.3487 numMergedOcc 0
46 mol 117 unq 1 iso 0 dist 7.90328 7.0603 9.3584 11.1062 8.2236 15.9037 numMergedOcc 0
47 mol 133 unq 0 iso 0 dist 7.11802 8.00618 8.18495 6.56917 9.64695 4.51266 numMergedOcc 0
48 mol 133 unq 1 iso 0 dist 8.00618 7.11802 8.18495 6.56917 4.51266 9.64695 numMergedOcc 0
49 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 8.19969 5.08591 8.03727 numMergedOcc 0
50 mol 175 unq 1 iso 0 dist 9.0018 6.57069 8.16421 8.19969 5.08591 10.9009 numMergedOcc 0
51 mol 175 unq 2 iso 0 dist 7.652 9.92231 6.2715 5.33769 5.08591 8.03727 numMergedOcc 0
52 mol 175 unq 3 iso 0 dist 5.6234 9.0018 6.2715 8.19969 8.03727 5.08591 numMergedOcc 0
53 mol 175 unq 4 iso 0 dist 5.6234 6.57069 5.35493 8.19969 8.03727 10.9009 numMergedOcc 0
54 mol 175 unq 5 iso 0 dist 9.92231 7.652 6.2715 5.33769 8.03727 5.08591 numMergedOcc 0
55 mol 178 unq 0 iso 0 dist 7.17202 6.69288 11.7381 6.39077 7.12045 12.5736 numMergedOcc 0
56 mol 178 unq 1 iso 0 dist 7.17202 6.43573 9.89739 6.39077 7.12045 12.52 numMergedOcc 0
57 mol 178 unq 2 iso 0 dist 7.17202 8.81551 5.18005 6.39077 7.12045 8.94945 numMergedOcc 0
58 mol 178 unq 3 iso 0 dist 8.81551 6.69288 14.0703 6.39077 8.94945 12.5736 numMergedOcc 0
59 mol 178 unq 4 iso 0 dist 8.81551 6.43573 10.5529 6.39077 8.94945 12.52 numMergedOcc 0
60 mol 178 unq 5 iso 0 dist 8.81551 7.17202 5.18005 6.39077 8.94945 7.12045 numMergedOcc 0
61 mol 206 unq 0 iso 0 dist 7.7366 9.774 5.63422 9.81596 5.52084 11.0438 numMergedOcc 0
62 mol 229 unq 0 iso 0 dist 7.03423 8.22528 5.57838 5.31837 7.38552 10.662 numMergedOcc 0
63 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 8.83842 7.72403 6.35438 numMergedOcc 0
64 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 5.43327 7.72403 6.35438 numMergedOcc 0
65 mol 234 unq 2 iso 0 dist 9.45496 6.56247 5.88703 8.83842 6.35438 7.72403 numMergedOcc 0
66 mol 234 unq 3 iso 0 dist 6.7625 9.36357 5.88703 5.43327 6.35438 7.72403 numMergedOcc 0
67 mol 248 unq 0 iso 0 dist 7.21521 7.69895 5.55137 5.41499 9.12664 12.1448 numMergedOcc 0
68 mol 248 unq 1 iso 0 dist 7.21521 8.2965 5.86196 5.41499 9.12664 6.51383 numMergedOcc 0
69 mol 248 unq 2 iso 0 dist 8.2965 7.69895 10.8081 5.41499 6.51383 12.1448 numMergedOcc 0
70 mol 248 unq 3 iso 0 dist 8.2965 7.21521 5.86196 5.41499 6.51383 9.12664 numMergedOcc 0
71 mol 259 unq 0 iso 0 dist 7.88519 8.13497 4.69778 10.1317 7.64122 11.9769 numMergedOcc 0
72 mol 273 unq 0 iso 0 dist 9.01049 6.92774 7.03728 11.528 9.82018 13.4222 numMergedOcc 0
73 mol 273 unq 1 iso 0 dist 9.01049 9.2983 8.05475 11.528 9.82018 16.4346 numMergedOcc 0
