0 mol 46 unq 0 iso 0 dist 9.47718 9.27409 5.65462 8.79378 6.54685 6.67753 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 5.81747 7.69638 5.87788 4.90216 4.82623 3.68327 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 5.81747 7.69638 5.87788 9.84217 8.76577 9.13939 numMergedOcc 0
3 mol 59 unq 2 iso 0 dist 6.81975 7.69638 5.46359 4.90216 6.24283 3.68327 numMergedOcc 0
4 mol 59 unq 3 iso 0 dist 6.81975 7.69638 5.46359 9.84217 5.00893 9.13939 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.53794 9.4486 18.0271 8.48827 17.4664 4.35598 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 9.53794 9.4486 18.0271 7.14048 16.6402 5.50339 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 9.84346 9.4486 18.5554 8.48827 15.9532 4.35598 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 9.84346 9.4486 18.5554 7.14048 14.6188 5.50339 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.16403 5.93987 3.56424 5.04673 5.87274 4.30488 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.16403 7.7913 10.4698 5.04673 5.87274 5.09449 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 9.59503 5.62309 11.9687 7.29864 13.947 3.79182 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 9.59503 5.62309 11.9687 7.7399 14.5986 8.93569 numMergedOcc 0
13 mol 92 unq 4 iso 0 dist 9.59503 7.11438 12.841 7.29864 13.947 9.74373 numMergedOcc 0
14 mol 92 unq 5 iso 0 dist 9.59503 7.11438 12.841 7.7399 14.5986 3.98877 numMergedOcc 0
15 mol 92 unq 6 iso 0 dist 9.59503 5.93987 12.49 5.04673 8.46944 4.30488 numMergedOcc 0
16 mol 92 unq 7 iso 0 dist 9.59503 7.7913 4.1125 5.04673 8.46944 5.09449 numMergedOcc 0
17 mol 92 unq 8 iso 0 dist 9.61119 5.62309 11.8069 7.29864 11.6652 3.79182 numMergedOcc 0
18 mol 92 unq 9 iso 0 dist 9.61119 5.62309 11.8069 7.7399 17.052 8.93569 numMergedOcc 0
19 mol 92 unq 10 iso 0 dist 9.61119 7.11438 15.4853 7.29864 11.6652 9.74373 numMergedOcc 0
20 mol 92 unq 11 iso 0 dist 9.61119 7.11438 15.4853 7.7399 17.052 3.98877 numMergedOcc 0
21 mol 112 unq 0 iso 0 dist 8.06034 8.23777 10.347 9.60648 3.37479 10.2723 numMergedOcc 0
22 mol 113 unq 0 iso 0 dist 9.64281 5.37302 9.01097 7.08403 5.96967 3.52111 numMergedOcc 0
23 mol 120 unq 0 iso 0 dist 8.43293 8.73484 6.71699 8.03124 3.71884 8.87094 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 7.12336 6.72323 12.6435 8.52036 5.56456 12.7291 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 9.70977 8.01453 10.006 6.41183 9.17108 5.16197 numMergedOcc 0
26 mol 154 unq 0 iso 0 dist 7.10223 5.60184 9.10645 6.12278 11.9194 4.03185 numMergedOcc 0
27 mol 154 unq 1 iso 0 dist 7.10223 8.86862 5.6364 6.12278 11.9194 11.2909 numMergedOcc 0
28 mol 154 unq 2 iso 0 dist 7.10223 7.08477 4.02111 6.12278 11.9194 9.94519 numMergedOcc 0
29 mol 163 unq 0 iso 0 dist 7.5447 9.62943 14.0837 9.37245 15.4278 9.10855 numMergedOcc 0
30 mol 163 unq 1 iso 0 dist 9.04757 9.62943 6.09134 9.37245 13.5948 9.10855 numMergedOcc 0
31 mol 168 unq 0 iso 0 dist 9.76722 8.90876 6.62718 8.97414 3.56227 8.8681 numMergedOcc 0
32 mol 168 unq 1 iso 0 dist 9.76722 8.90876 6.62718 8.00063 6.15982 5.71136 numMergedOcc 0
33 mol 169 unq 0 iso 0 dist 9.83308 5.51388 9.12553 7.33643 5.74428 3.83687 numMergedOcc 0
34 mol 169 unq 1 iso 0 dist 8.97159 5.51388 12.8642 7.33643 12.9566 3.83687 numMergedOcc 0
35 mol 169 unq 2 iso 0 dist 8.44483 7.91434 13.754 7.50458 3.69097 14.0793 numMergedOcc 0
36 mol 169 unq 3 iso 0 dist 8.44483 7.91434 13.754 5.79554 7.14832 13.629 numMergedOcc 0
37 mol 169 unq 4 iso 0 dist 8.44483 7.91434 13.754 4.22003 8.01356 11.1464 numMergedOcc 0
38 mol 169 unq 5 iso 0 dist 8.44483 7.79437 15.222 7.50458 3.69097 14.1141 numMergedOcc 0
39 mol 169 unq 6 iso 0 dist 8.44483 7.79437 15.222 5.79554 7.14832 13.1539 numMergedOcc 0
40 mol 169 unq 7 iso 0 dist 8.44483 7.79437 15.222 4.22003 8.01356 11.6489 numMergedOcc 0
41 mol 169 unq 8 iso 0 dist 8.44483 8.17917 10.711 7.78577 4.24401 7.83748 numMergedOcc 0
42 mol 169 unq 9 iso 0 dist 9.79864 7.91434 9.38287 7.50458 11.5623 14.0793 numMergedOcc 0
43 mol 169 unq 10 iso 0 dist 9.79864 7.91434 9.38287 5.79554 12.6041 13.629 numMergedOcc 0
44 mol 169 unq 11 iso 0 dist 9.79864 7.91434 9.38287 4.22003 10.4049 11.1464 numMergedOcc 0
45 mol 169 unq 12 iso 0 dist 9.79864 7.79437 13.8794 7.50458 11.5623 14.1141 numMergedOcc 0
46 mol 169 unq 13 iso 0 dist 9.79864 7.79437 13.8794 5.79554 12.6041 13.1539 numMergedOcc 0
47 mol 169 unq 14 iso 0 dist 9.79864 7.79437 13.8794 4.22003 10.4049 11.6489 numMergedOcc 0
48 mol 169 unq 15 iso 0 dist 9.73241 7.91434 4.80754 7.50458 16.721 14.0793 numMergedOcc 0
49 mol 169 unq 16 iso 0 dist 9.73241 7.91434 4.80754 5.79554 14.8989 13.629 numMergedOcc 0
50 mol 169 unq 17 iso 0 dist 9.73241 7.91434 4.80754 4.22003 11.6433 11.1464 numMergedOcc 0
51 mol 169 unq 18 iso 0 dist 9.73241 7.79437 8.15907 7.50458 16.721 14.1141 numMergedOcc 0
52 mol 169 unq 19 iso 0 dist 9.73241 7.79437 8.15907 5.79554 14.8989 13.1539 numMergedOcc 0
53 mol 169 unq 20 iso 0 dist 9.73241 7.79437 8.15907 4.22003 11.6433 11.6489 numMergedOcc 0
54 mol 171 unq 0 iso 0 dist 8.59783 6.80086 13.1204 7.06555 14.5273 3.72812 numMergedOcc 0
55 mol 176 unq 0 iso 0 dist 7.4839 9.30303 4.44432 8.13136 7.59772 4.6417 numMergedOcc 0
56 mol 176 unq 1 iso 0 dist 9.70481 9.30303 8.5937 8.13136 6.25591 4.6417 numMergedOcc 0
57 mol 176 unq 2 iso 0 dist 6.59532 9.30303 5.2357 8.13136 3.47653 4.6417 numMergedOcc 0
58 mol 210 unq 0 iso 0 dist 9.718 9.26092 9.53964 9.49242 12.6983 3.71145 numMergedOcc 0
59 mol 210 unq 1 iso 0 dist 9.718 9.26092 9.53964 9.25184 12.162 11.0674 numMergedOcc 0
60 mol 210 unq 2 iso 0 dist 8.61629 9.26092 5.82101 9.49242 9.16249 3.71145 numMergedOcc 0
61 mol 210 unq 3 iso 0 dist 8.61629 9.26092 5.82101 9.25184 9.9492 11.0674 numMergedOcc 0
62 mol 244 unq 0 iso 0 dist 5.06669 5.79898 10.6799 5.16859 3.62882 10.1665 numMergedOcc 0
63 mol 244 unq 1 iso 0 dist 5.06669 5.79898 10.6799 4.79207 7.8506 5.68434 numMergedOcc 0
64 mol 244 unq 2 iso 0 dist 5.65248 5.79898 8.05133 5.16859 5.2503 10.1665 numMergedOcc 0
65 mol 244 unq 3 iso 0 dist 5.65248 5.79898 8.05133 4.79207 3.66626 5.68434 numMergedOcc 0
66 mol 253 unq 0 iso 0 dist 5.86892 9.34735 13.3151 8.71119 11.1928 6.06804 numMergedOcc 0
67 mol 253 unq 1 iso 0 dist 5.86892 9.34735 13.3151 6.21648 6.55091 8.66074 numMergedOcc 0
68 mol 278 unq 0 iso 0 dist 9.60643 6.81257 5.04243 9.93392 7.09039 6.89604 numMergedOcc 0
69 mol 278 unq 1 iso 0 dist 7.79408 6.81257 4.74121 9.93392 10.8254 6.89604 numMergedOcc 0
