0 mol 9 unq 0 iso 0 dist 5.71201 4.74921 4.94281 4.09467 8.59513 8.78573 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.71201 4.74921 4.94281 6.00657 6.59312 9.39176 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.26206 7.5517 3.59314 5.45273 8.72342 8.26091 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 4.90592 9.65174 9.63925 4.21283 7.85986 8.25818 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 4.90592 9.65174 9.63925 4.97191 4.30252 10.2171 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.36461 9.41655 14.1137 15.6099 7.85986 21.2047 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.36461 9.41655 14.1137 12.5557 4.30252 15.9479 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 9.36461 6.803 13.4584 15.6099 7.85986 20.7785 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 9.36461 6.803 13.4584 12.5557 4.30252 16.233 numMergedOcc 0
9 mol 26 unq 0 iso 0 dist 9.5053 9.41425 8.58071 12.4814 9.11311 10.2035 numMergedOcc 0
10 mol 28 unq 0 iso 0 dist 7.40415 8.75468 10.4406 6.37119 5.19518 8.67077 numMergedOcc 0
11 mol 28 unq 1 iso 0 dist 7.40415 7.62989 12.0524 6.37119 5.19518 10.4857 numMergedOcc 0
12 mol 28 unq 2 iso 0 dist 7.40415 5.70238 10.0581 6.37119 5.19518 11.286 numMergedOcc 0
13 mol 34 unq 0 iso 0 dist 6.15801 9.31883 9.92713 4.06864 8.0991 11.9917 numMergedOcc 0
14 mol 34 unq 1 iso 0 dist 6.15801 9.31883 9.92713 5.9339 9.95093 9.48125 numMergedOcc 0
15 mol 34 unq 2 iso 0 dist 6.15801 9.475 10.6518 4.06864 8.0991 12.9247 numMergedOcc 0
16 mol 34 unq 3 iso 0 dist 6.15801 9.475 10.6518 5.9339 9.95093 11.1667 numMergedOcc 0
17 mol 34 unq 4 iso 0 dist 6.15801 8.34011 5.94977 4.06864 8.0991 11.6522 numMergedOcc 0
18 mol 34 unq 5 iso 0 dist 6.15801 8.34011 5.94977 5.9339 9.95093 11.4447 numMergedOcc 0
19 mol 34 unq 6 iso 0 dist 6.15801 6.29842 6.35031 4.06864 8.0991 6.38866 numMergedOcc 0
20 mol 34 unq 7 iso 0 dist 6.15801 6.29842 6.35031 5.9339 9.95093 10.7075 numMergedOcc 0
21 mol 34 unq 8 iso 0 dist 9.63403 9.31883 15.7295 4.06864 8.80175 11.9917 numMergedOcc 0
22 mol 34 unq 9 iso 0 dist 9.63403 9.475 16.8534 4.06864 8.80175 12.9247 numMergedOcc 0
23 mol 34 unq 10 iso 0 dist 9.63403 8.34011 12.3865 4.06864 8.80175 11.6522 numMergedOcc 0
24 mol 34 unq 11 iso 0 dist 9.63403 6.29842 5.50427 4.06864 8.80175 6.38866 numMergedOcc 0
25 mol 48 unq 0 iso 0 dist 7.59316 5.54554 8.98812 5.15398 6.28603 9.93675 numMergedOcc 0
26 mol 48 unq 1 iso 0 dist 7.59316 5.54554 8.98812 8.66294 8.80303 13.7233 numMergedOcc 0
27 mol 48 unq 2 iso 0 dist 7.59316 5.54554 8.98812 12.5266 7.11491 14.8399 numMergedOcc 0
28 mol 48 unq 3 iso 0 dist 7.59316 6.84514 3.50984 5.15398 6.28603 5.54472 numMergedOcc 0
29 mol 48 unq 4 iso 0 dist 7.59316 6.84514 3.50984 8.66294 8.80303 8.62369 numMergedOcc 0
30 mol 48 unq 5 iso 0 dist 7.59316 6.84514 3.50984 12.5266 7.11491 6.5241 numMergedOcc 0
31 mol 48 unq 6 iso 0 dist 7.59316 8.95402 12.69 5.15398 6.28603 12.0538 numMergedOcc 0
32 mol 48 unq 7 iso 0 dist 7.59316 8.95402 12.69 8.66294 8.80303 15.6455 numMergedOcc 0
33 mol 48 unq 8 iso 0 dist 7.59316 8.95402 12.69 12.5266 7.11491 15.8172 numMergedOcc 0
34 mol 48 unq 9 iso 0 dist 7.51285 5.5232 9.01489 5.15603 5.73454 9.764 numMergedOcc 0
35 mol 48 unq 10 iso 0 dist 7.51285 5.5232 9.01489 8.37489 8.2012 13.3555 numMergedOcc 0
36 mol 48 unq 11 iso 0 dist 7.51285 5.5232 9.01489 12.6408 7.1829 14.8013 numMergedOcc 0
37 mol 48 unq 12 iso 0 dist 7.51285 7.05619 3.65036 5.15603 5.73454 5.37439 numMergedOcc 0
38 mol 48 unq 13 iso 0 dist 7.51285 7.05619 3.65036 8.37489 8.2012 8.3714 numMergedOcc 0
39 mol 48 unq 14 iso 0 dist 7.51285 7.05619 3.65036 12.6408 7.1829 6.36817 numMergedOcc 0
40 mol 85 unq 0 iso 0 dist 8.70863 5.72961 11.5785 14.1233 8.04853 18.6507 numMergedOcc 0
41 mol 85 unq 1 iso 0 dist 8.70863 5.72961 11.5785 14.3481 6.46549 17.0286 numMergedOcc 0
42 mol 90 unq 0 iso 0 dist 7.31784 9.08732 5.97902 4.67883 8.61893 12.343 numMergedOcc 0
43 mol 92 unq 0 iso 0 dist 8.57827 7.87729 4.15826 5.19513 9.22418 8.55237 numMergedOcc 0
44 mol 131 unq 0 iso 0 dist 5.39061 4.48699 4.94367 4.9293 7.84546 7.53342 numMergedOcc 0
45 mol 141 unq 0 iso 0 dist 9.78667 8.88454 3.80087 11.2139 4.92382 4.88514 numMergedOcc 0
46 mol 141 unq 1 iso 0 dist 8.47026 9.48581 3.80087 10.7006 4.92382 4.88514 numMergedOcc 0
47 mol 141 unq 2 iso 0 dist 6.73983 8.88454 3.80763 13.2445 8.40695 10.3516 numMergedOcc 0
48 mol 141 unq 3 iso 0 dist 6.73983 8.88454 3.80763 11.2655 9.35867 12.6128 numMergedOcc 0
49 mol 141 unq 4 iso 0 dist 8.6387 9.48581 3.80763 14.0635 8.40695 10.3516 numMergedOcc 0
50 mol 141 unq 5 iso 0 dist 8.6387 9.48581 3.80763 12.7431 9.35867 12.6128 numMergedOcc 0
51 mol 141 unq 6 iso 0 dist 7.64956 8.88454 9.98068 11.2655 9.38036 12.6128 numMergedOcc 0
52 mol 143 unq 0 iso 0 dist 6.95372 8.56866 6.36052 5.42311 7.2932 11.4225 numMergedOcc 0
53 mol 143 unq 1 iso 0 dist 6.95372 5.66207 4.5497 5.42311 7.2932 4.3855 numMergedOcc 0
54 mol 151 unq 0 iso 0 dist 4.74531 9.06016 11.8889 10.247 8.1948 13.5471 numMergedOcc 0
55 mol 162 unq 0 iso 0 dist 7.14263 9.56342 6.17752 5.21512 5.67088 10.7246 numMergedOcc 0
56 mol 194 unq 0 iso 0 dist 6.37788 5.13892 3.7326 8.68259 8.43182 5.10542 numMergedOcc 0
57 mol 194 unq 1 iso 0 dist 6.37788 5.78717 7.29209 8.68259 8.43182 4.68722 numMergedOcc 0
58 mol 194 unq 2 iso 0 dist 8.7028 8.2232 3.7326 9.38176 8.43182 5.10542 numMergedOcc 0
59 mol 205 unq 0 iso 0 dist 9.17946 5.19567 13.6793 11.5523 6.81516 16.0515 numMergedOcc 0
60 mol 205 unq 1 iso 0 dist 9.17946 5.19567 13.6793 10.2944 9.17562 15.2625 numMergedOcc 0
61 mol 237 unq 0 iso 0 dist 5.06628 8.96803 12.5736 5.20161 8.95332 11.9653 numMergedOcc 0
62 mol 237 unq 1 iso 0 dist 5.06628 7.95072 3.68966 5.20161 8.95332 10.5317 numMergedOcc 0
63 mol 253 unq 0 iso 0 dist 8.15091 9.86765 10.4961 8.4971 9.82605 11.9519 numMergedOcc 0
64 mol 253 unq 1 iso 0 dist 8.15091 9.86765 10.4961 4.30218 9.73723 10.9358 numMergedOcc 0
65 mol 253 unq 2 iso 0 dist 8.15091 6.3738 5.68255 8.4971 9.82605 10.2265 numMergedOcc 0
66 mol 253 unq 3 iso 0 dist 8.15091 6.3738 5.68255 4.30218 9.73723 8.66299 numMergedOcc 0
67 mol 260 unq 0 iso 0 dist 7.99521 4.64695 7.28821 5.42399 6.49413 8.62655 numMergedOcc 0
68 mol 260 unq 1 iso 0 dist 7.99521 4.64695 7.28821 10.39 6.12343 11.9844 numMergedOcc 0
69 mol 260 unq 2 iso 0 dist 7.99521 4.64695 7.28821 9.79316 4.52405 9.01781 numMergedOcc 0
70 mol 282 unq 0 iso 0 dist 8.67489 9.9322 17.93 10.6248 8.46115 20.1183 numMergedOcc 0
