0 mol 11 unq 0 iso 0 dist 5.47299 12.6523 9.81983 7.27588 6.83186 6.51674 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.09862 10.2252 8.69709 9.64948 7.08766 10.8722 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.97167 11.6344 8.69709 10.1805 7.08766 10.8722 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.55284 12.3426 5.7836 6.25072 5.54472 6.17529 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 9.55284 12.3426 5.7836 3.72926 8.62369 9.78584 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 9.55284 12.3426 5.7836 8.48678 6.5241 11.505 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.36877 11.2238 5.7836 6.64874 5.54472 6.17529 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 7.36877 11.2238 5.7836 5.68077 8.62369 9.78584 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 7.36877 11.2238 5.7836 3.85292 6.5241 11.505 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 7.90416 11.0942 9.42099 9.165 9.05737 3.85506 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 6.89752 11.0606 5.82264 6.42565 5.37439 6.30002 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 6.89752 11.0606 5.82264 5.7824 8.3714 9.72383 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 6.89752 11.0606 5.82264 3.72746 6.36817 11.5388 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 6.89752 8.31475 8.56365 6.42565 5.37439 11.2833 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 6.89752 8.31475 8.56365 5.7824 8.3714 12.3471 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 6.89752 8.31475 8.56365 3.72746 6.36817 6.34854 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 6.85843 8.31475 8.74151 3.72746 4.17933 6.34854 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 7.94814 12.4972 8.74151 6.4561 4.17933 6.34854 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 9.55632 12.4972 8.69662 6.4561 5.54893 6.34854 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 6.64921 4.39227 8.84225 4.15002 4.15789 6.07693 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 6.64921 4.39227 8.84225 9.36535 4.808 10.8556 numMergedOcc 0
21 mol 79 unq 2 iso 0 dist 6.64921 8.32896 6.72546 4.15002 4.15789 5.25584 numMergedOcc 0
22 mol 79 unq 3 iso 0 dist 6.64921 8.32896 6.72546 9.36535 4.808 5.79629 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 8.67342 16.5181 9.13593 4.8069 6.67137 13.6534 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 8.67342 16.5181 9.13593 18.1303 9.78707 3.93938 numMergedOcc 0
25 mol 85 unq 2 iso 0 dist 8.60062 16.5181 8.25144 11.1042 7.07839 9.66391 numMergedOcc 0
26 mol 85 unq 3 iso 0 dist 8.60062 16.5181 8.25144 7.55572 9.09711 15.6454 numMergedOcc 0
27 mol 85 unq 4 iso 0 dist 8.60062 16.5181 8.25144 4.8069 7.04244 13.6534 numMergedOcc 0
28 mol 85 unq 5 iso 0 dist 8.60062 16.5181 8.25144 18.1303 9.63449 3.93938 numMergedOcc 0
29 mol 85 unq 6 iso 0 dist 8.60062 16.5181 8.25144 10.9585 7.91193 11.6517 numMergedOcc 0
30 mol 85 unq 7 iso 0 dist 5.73739 11.9312 9.13593 10.0178 6.67137 13.6534 numMergedOcc 0
31 mol 85 unq 8 iso 0 dist 5.73739 11.9312 9.13593 12.1664 9.78707 3.93938 numMergedOcc 0
32 mol 85 unq 9 iso 0 dist 5.16225 11.9312 8.25144 10.0529 7.07839 9.66391 numMergedOcc 0
33 mol 85 unq 10 iso 0 dist 5.16225 11.9312 8.25144 8.41797 9.09711 15.6454 numMergedOcc 0
34 mol 85 unq 11 iso 0 dist 5.16225 11.9312 8.25144 10.0178 7.04244 13.6534 numMergedOcc 0
35 mol 85 unq 12 iso 0 dist 5.16225 11.9312 8.25144 12.1664 9.63449 3.93938 numMergedOcc 0
36 mol 85 unq 13 iso 0 dist 5.16225 11.9312 8.25144 9.0874 7.91193 11.6517 numMergedOcc 0
37 mol 92 unq 0 iso 0 dist 9.62106 5.04277 9.22418 4.51052 8.55237 4.15826 numMergedOcc 0
38 mol 101 unq 0 iso 0 dist 7.33426 4.93063 9.44645 9.71802 8.19144 13.0976 numMergedOcc 0
39 mol 101 unq 1 iso 0 dist 8.17175 14.9783 9.44645 4.97717 8.19144 13.0976 numMergedOcc 0
40 mol 131 unq 0 iso 0 dist 7.34765 8.25083 8.47526 3.82317 7.53342 4.60864 numMergedOcc 0
41 mol 141 unq 0 iso 0 dist 5.28634 4.1584 4.92382 6.1672 4.88514 3.80087 numMergedOcc 0
42 mol 169 unq 0 iso 0 dist 6.27378 4.8154 9.84538 10.1931 5.10589 14.1141 numMergedOcc 0
43 mol 169 unq 1 iso 0 dist 6.27378 4.8154 9.84538 10.5136 4.63336 13.1539 numMergedOcc 0
44 mol 169 unq 2 iso 0 dist 6.27378 4.8154 9.84538 10.212 6.10715 11.6489 numMergedOcc 0
45 mol 213 unq 0 iso 0 dist 8.22178 11.036 9.34602 3.89477 7.93317 11.5458 numMergedOcc 0
46 mol 254 unq 0 iso 0 dist 9.83135 5.80462 9.31434 9.22906 7.85841 11.0708 numMergedOcc 0
47 mol 254 unq 1 iso 0 dist 9.83135 5.80462 9.31434 12.319 9.20109 13.4911 numMergedOcc 0
48 mol 254 unq 2 iso 0 dist 7.40957 8.65259 9.50951 9.72134 9.20109 11.9238 numMergedOcc 0
49 mol 256 unq 0 iso 0 dist 9.49634 9.83915 4.36333 5.16057 5.58222 5.59732 numMergedOcc 0
50 mol 256 unq 1 iso 0 dist 9.49634 8.66329 6.96483 5.16057 5.58222 3.96807 numMergedOcc 0
51 mol 281 unq 0 iso 0 dist 9.39268 13.4239 6.18742 12.4082 7.90368 3.78169 numMergedOcc 0
52 mol 281 unq 1 iso 0 dist 9.39268 13.4239 6.18742 10.4439 6.69267 11.7772 numMergedOcc 0
53 mol 281 unq 2 iso 0 dist 9.06888 13.4274 6.18742 15.8562 7.90368 3.78169 numMergedOcc 0
54 mol 281 unq 3 iso 0 dist 9.06888 13.4274 6.18742 6.28551 6.69267 11.7772 numMergedOcc 0
55 mol 281 unq 4 iso 0 dist 6.62682 13.4274 6.8089 6.24691 5.33372 10.3992 numMergedOcc 0
56 mol 281 unq 5 iso 0 dist 6.62682 13.4274 6.8089 6.28551 6.56886 11.7772 numMergedOcc 0
57 mol 287 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.13698 4.68668 5.39801 numMergedOcc 0
58 mol 288 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.13698 4.68668 5.39801 numMergedOcc 0
59 mol 289 unq 0 iso 0 dist 5.55176 9.62532 9.25759 5.13698 4.68668 5.39801 numMergedOcc 0
