0 mol 2 unq 0 iso 0 dist 6.89072 9.78005 10.5078 9.5866 8.3726 10.1733 numMergedOcc 0
1 mol 10 unq 0 iso 0 dist 9.6309 9.23414 3.3748 11.8229 9.9373 7.83087 numMergedOcc 0
2 mol 10 unq 1 iso 0 dist 9.6309 9.23414 3.3748 6.16158 8.4881 9.37129 numMergedOcc 0
3 mol 10 unq 2 iso 0 dist 9.23414 9.6309 3.3748 4.55975 9.97671 11.7194 numMergedOcc 0
4 mol 10 unq 3 iso 0 dist 9.23414 9.6309 3.3748 11.8229 7.83087 9.9373 numMergedOcc 0
5 mol 10 unq 4 iso 0 dist 9.23414 9.6309 3.3748 6.16158 9.37129 8.4881 numMergedOcc 0
6 mol 10 unq 5 iso 0 dist 8.44792 4.94198 8.45469 9.23608 5.8369 9.18285 numMergedOcc 0
7 mol 10 unq 6 iso 0 dist 8.44792 4.94198 8.45469 11.8998 8.06428 14.5081 numMergedOcc 0
8 mol 10 unq 7 iso 0 dist 8.44792 9.62353 16.6607 9.23608 5.8369 15.8951 numMergedOcc 0
9 mol 10 unq 8 iso 0 dist 8.44792 9.62353 16.6607 11.8998 8.06428 21.0177 numMergedOcc 0
10 mol 62 unq 0 iso 0 dist 7.25138 8.7531 14.2375 11.1544 7.01397 19.2967 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 9.40699 8.56269 12.9011 12.0479 8.73208 19.0734 numMergedOcc 0
12 mol 88 unq 1 iso 0 dist 9.40699 8.56269 12.9011 9.40927 5.60174 16.023 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.29864 7.7399 11.8229 14.7098 9.60046 16.7272 numMergedOcc 0
14 mol 93 unq 0 iso 0 dist 5.10693 6.58814 2.81832 4.1947 8.24402 10.1292 numMergedOcc 0
15 mol 93 unq 1 iso 0 dist 5.10693 6.13459 10.7776 4.1947 8.24402 7.14241 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 5.10693 7.54391 10.4844 4.1947 8.24402 10.5252 numMergedOcc 0
17 mol 93 unq 3 iso 0 dist 6.58814 5.10693 2.81832 9.45097 9.44156 10.7142 numMergedOcc 0
18 mol 93 unq 4 iso 0 dist 6.58814 6.13459 11.7564 9.45097 9.44156 12.0633 numMergedOcc 0
19 mol 93 unq 5 iso 0 dist 6.58814 7.54391 10.3262 9.45097 9.44156 11.0168 numMergedOcc 0
20 mol 93 unq 6 iso 0 dist 6.13459 5.10693 10.7776 4.1947 7.14241 8.24402 numMergedOcc 0
21 mol 93 unq 7 iso 0 dist 6.13459 6.58814 11.7564 4.1947 7.14241 10.1292 numMergedOcc 0
22 mol 93 unq 8 iso 0 dist 6.13459 7.54391 5.02964 4.1947 7.14241 10.5252 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 8.97414 8.00063 8.38976 4.65845 5.64732 5.80055 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 8.00063 8.97414 8.38976 4.65845 5.80055 5.64732 numMergedOcc 0
25 mol 176 unq 0 iso 0 dist 8.51811 7.26558 3.17744 14.7871 9.40138 12.3904 numMergedOcc 0
26 mol 183 unq 0 iso 0 dist 6.2675 7.16035 5.6959 3.94874 8.69656 11.0149 numMergedOcc 0
27 mol 183 unq 1 iso 0 dist 9.52042 9.61725 5.6959 4.44329 8.69656 11.0149 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 4.37577 6.99587 3.09727 7.99002 8.35588 11.1673 numMergedOcc 0
29 mol 210 unq 0 iso 0 dist 9.49242 9.25184 12.017 7.8713 6.58557 13.6322 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 8.32831 9.38205 10.7706 4.44276 5.86945 12.0345 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 9.33969 7.64079 9.65274 9.07946 5.86945 12.2024 numMergedOcc 0
32 mol 244 unq 0 iso 0 dist 5.16859 4.79207 5.86449 8.49995 9.07512 9.12728 numMergedOcc 0
33 mol 254 unq 0 iso 0 dist 9.09568 9.99168 2.67738 5.53022 9.672 9.15233 numMergedOcc 0
34 mol 254 unq 1 iso 0 dist 9.99168 9.09568 2.67738 5.53022 9.15233 9.672 numMergedOcc 0
35 mol 254 unq 2 iso 0 dist 7.84221 9.67383 2.67738 9.29698 9.672 9.15233 numMergedOcc 0
36 mol 254 unq 3 iso 0 dist 9.67383 7.84221 2.67738 9.29698 9.15233 9.672 numMergedOcc 0
37 mol 260 unq 0 iso 0 dist 9.46576 7.88108 9.93488 9.87568 4.76164 12.6573 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 8.72101 8.75619 3.75238 13.3688 9.07744 12.4905 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 8.72101 8.75619 3.75238 16.9673 8.42892 9.71221 numMergedOcc 0
40 mol 277 unq 2 iso 0 dist 8.72101 8.75619 3.75238 8.45252 8.90967 6.40861 numMergedOcc 0
41 mol 277 unq 3 iso 0 dist 8.75619 8.72101 3.75238 8.45252 6.40861 8.90967 numMergedOcc 0
42 mol 277 unq 4 iso 0 dist 5.11998 5.79925 3.75238 12.5633 9.07744 12.4905 numMergedOcc 0
43 mol 277 unq 5 iso 0 dist 5.11998 5.79925 3.75238 5.10572 8.42892 9.71221 numMergedOcc 0
44 mol 277 unq 6 iso 0 dist 5.11998 5.79925 3.75238 12.1971 8.90967 6.40861 numMergedOcc 0
45 mol 277 unq 7 iso 0 dist 5.79925 5.11998 3.75238 12.1971 6.40861 8.90967 numMergedOcc 0
46 mol 281 unq 0 iso 0 dist 6.82918 4.29351 3.77058 14.9508 9.39268 12.8134 numMergedOcc 0
47 mol 281 unq 1 iso 0 dist 6.82918 4.29351 3.77058 4.19307 9.06888 6.62682 numMergedOcc 0
48 mol 281 unq 2 iso 0 dist 4.29351 6.82918 3.77058 4.19307 6.62682 9.06888 numMergedOcc 0
49 mol 286 unq 0 iso 0 dist 8.87916 8.27359 11.4954 6.87474 6.89373 13.8626 numMergedOcc 0
50 mol 286 unq 1 iso 0 dist 8.87916 8.14957 12.5721 6.87474 6.89373 14.2041 numMergedOcc 0
51 mol 287 unq 0 iso 0 dist 9.59195 7.35776 4.68872 8.74583 8.39976 8.21192 numMergedOcc 0
52 mol 288 unq 0 iso 0 dist 9.59195 7.35776 4.68872 8.74583 8.39976 8.21192 numMergedOcc 0
53 mol 289 unq 0 iso 0 dist 9.59195 7.35776 4.68872 8.74583 8.39976 8.21192 numMergedOcc 0
54 mol 294 unq 0 iso 0 dist 7.48987 8.35637 10.1889 8.43044 8.83359 15.6746 numMergedOcc 0
