0 mol 20 unq 0 iso 0 dist 6.02975 10.9288 9.4228 13.4715 9.74724 16.7341 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.02975 10.9288 9.4228 12.9639 9.13347 14.3516 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.03041 14.4605 8.80127 11.1055 7.18124 6.7846 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.03041 14.4605 8.80127 11.2879 6.47026 8.03955 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.03041 4.42703 6.48457 11.1055 7.18124 13.2846 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.03041 4.42703 6.48457 11.2879 6.47026 12.3897 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 5.77889 5.07603 6.4687 3.88746 7.15043 5.62545 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 5.77889 5.07603 6.4687 3.3881 5.70283 8.0518 numMergedOcc 0
8 mol 81 unq 2 iso 0 dist 8.22976 11.6734 6.4687 7.86537 7.15043 5.62545 numMergedOcc 0
9 mol 81 unq 3 iso 0 dist 8.22976 11.6734 6.4687 3.93741 5.70283 8.0518 numMergedOcc 0
10 mol 81 unq 4 iso 0 dist 6.91587 5.07603 6.67147 3.88746 5.86142 5.62545 numMergedOcc 0
11 mol 81 unq 5 iso 0 dist 6.91587 5.07603 6.67147 3.3881 7.16741 8.0518 numMergedOcc 0
12 mol 81 unq 6 iso 0 dist 8.9512 11.6734 6.67147 7.86537 5.86142 5.62545 numMergedOcc 0
13 mol 81 unq 7 iso 0 dist 8.9512 11.6734 6.67147 3.93741 7.16741 8.0518 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 7.27074 12.8517 8.82395 5.47525 9.36638 11.8395 numMergedOcc 0
15 mol 120 unq 0 iso 0 dist 9.09944 7.63664 8.1671 10.9616 9.43682 3.824 numMergedOcc 0
16 mol 120 unq 1 iso 0 dist 9.09944 7.63664 8.1671 5.53373 8.0564 4.96885 numMergedOcc 0
17 mol 120 unq 2 iso 0 dist 6.05523 5.6257 8.1671 8.24077 9.43682 3.824 numMergedOcc 0
18 mol 120 unq 3 iso 0 dist 6.05523 5.6257 8.1671 3.79384 8.0564 4.96885 numMergedOcc 0
19 mol 120 unq 4 iso 0 dist 7.81657 5.0256 8.1671 5.56137 9.43682 3.824 numMergedOcc 0
20 mol 120 unq 5 iso 0 dist 7.81657 5.0256 8.1671 6.80121 8.0564 4.96885 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 4.58432 8.41711 8.86966 5.0146 7.78215 4.73288 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 4.58432 4.82496 5.7527 5.0146 7.78215 4.70284 numMergedOcc 0
23 mol 158 unq 0 iso 0 dist 6.9987 8.71298 9.53821 4.67886 9.67263 13.173 numMergedOcc 0
24 mol 176 unq 0 iso 0 dist 9.33188 14.8911 6.32146 12.3716 5.60333 5.02061 numMergedOcc 0
25 mol 176 unq 1 iso 0 dist 9.33188 14.8911 6.32146 12.7977 5.58647 6.40668 numMergedOcc 0
26 mol 176 unq 2 iso 0 dist 9.33188 14.8911 6.32146 12.1252 8.5733 10.3398 numMergedOcc 0
27 mol 182 unq 0 iso 0 dist 6.17569 11.8631 9.07173 7.7167 8.58391 6.1548 numMergedOcc 0
28 mol 210 unq 0 iso 0 dist 8.34886 7.40381 5.62219 12.5477 9.41473 5.29041 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 9.76717 10.2202 7.48298 3.91089 9.84342 7.63636 numMergedOcc 0
30 mol 252 unq 1 iso 0 dist 9.76717 10.2202 7.48298 15.3763 8.63893 9.93981 numMergedOcc 0
31 mol 261 unq 0 iso 0 dist 6.85252 12.641 9.00426 4.0358 7.8647 11.1348 numMergedOcc 0
32 mol 278 unq 0 iso 0 dist 9.88046 9.04802 5.77089 6.31745 9.68335 5.33325 numMergedOcc 0
33 mol 282 unq 0 iso 0 dist 6.93453 4.59315 8.76788 9.67093 7.89625 10.9871 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 8.27165 10.7208 9.29241 7.06245 8.70479 4.21609 numMergedOcc 0
35 mol 287 unq 1 iso 0 dist 8.0077 17.2259 9.29241 16.2901 8.70479 4.21609 numMergedOcc 0
36 mol 288 unq 0 iso 0 dist 8.27165 10.7208 9.29241 7.06245 8.70479 4.21609 numMergedOcc 0
37 mol 288 unq 1 iso 0 dist 8.0077 17.2259 9.29241 16.2901 8.70479 4.21609 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 8.27165 10.7208 9.29241 7.06245 8.70479 4.21609 numMergedOcc 0
39 mol 289 unq 1 iso 0 dist 8.0077 17.2259 9.29241 16.2901 8.70479 4.21609 numMergedOcc 0
