0 mol 26 unq 0 iso 0 dist 9.15677 9.53735 10.797 5.03531 6.33493 6.36636 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 7.34019 7.11464 6.11846 6.6055 8.76585 3.58776 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 8.43828 7.11464 7.3917 6.6055 8.91922 3.58776 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 9.31319 6.19084 10.5906 9.942 15.711 6.67753 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 9.31319 6.19084 10.5906 5.92771 7.13979 8.49258 numMergedOcc 0
5 mol 46 unq 2 iso 0 dist 8.2513 6.19084 12.8683 9.942 16.0486 6.67753 numMergedOcc 0
6 mol 46 unq 3 iso 0 dist 8.2513 6.19084 12.8683 5.92771 9.26597 8.49258 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 8.61163 5.80996 5.10859 7.77212 5.8646 7.00648 numMergedOcc 0
8 mol 53 unq 1 iso 0 dist 7.80805 5.66861 5.10859 9.72637 5.20563 7.43661 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 7.51978 5.0478 4.29856 7.18148 13.8618 10.1455 numMergedOcc 0
10 mol 63 unq 0 iso 0 dist 9.84668 7.35929 7.78153 6.0662 6.91113 5.28622 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.22406 8.57012 13.3881 6.51132 10.2467 4.17255 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.22406 8.57012 13.3881 8.38986 9.31447 6.52866 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 8.22406 9.75945 5.90097 6.51132 10.2467 9.96839 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 8.22406 9.75945 5.90097 8.38986 9.31447 9.12887 numMergedOcc 0
15 mol 103 unq 0 iso 0 dist 5.94478 9.61913 9.91049 7.85115 8.02001 16.6049 numMergedOcc 0
16 mol 123 unq 0 iso 0 dist 9.26057 9.47346 9.02568 6.60464 6.21159 3.99394 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 9.7168 9.92375 11.2659 7.91749 6.77599 11.5773 numMergedOcc 0
18 mol 148 unq 1 iso 0 dist 7.38138 9.92375 4.99768 7.91749 10.2375 11.5773 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 8.1504 9.58371 7.49843 4.80508 6.81208 11.8112 numMergedOcc 0
20 mol 158 unq 1 iso 0 dist 8.1504 9.58371 7.49843 4.88625 5.74997 10.454 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 7.8621 8.04856 9.81003 7.01577 6.1548 3.73864 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 9.05666 7.27051 12.717 8.42665 12.1342 6.73951 numMergedOcc 0
23 mol 192 unq 1 iso 0 dist 9.05666 7.35424 14.8459 8.42665 12.1342 6.53644 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 7.8518 6.49075 8.56684 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 6.32652 6.21588 11.2903 7.8518 8.62057 8.56684 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 8.3035 8.07237 7.8472 6.03628 4.15355 4.05067 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.29203 8.03226 10.3871 9.59909 8.71924 3.63257 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 7.62771 8.03226 6.54814 9.59909 4.56594 3.63257 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 7.80166 8.03226 14.388 9.59909 14.2741 3.63257 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 5.76077 7.06589 5.78064 8.86676 9.46115 5.68255 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 9.54236 9.1926 4.61517 8.54895 12.0416 10.5558 numMergedOcc 0
32 mol 272 unq 1 iso 0 dist 9.54236 9.17894 8.52496 8.54895 12.0416 15.1513 numMergedOcc 0
33 mol 276 unq 0 iso 0 dist 7.11272 8.74282 6.51623 9.97709 9.89329 13.3582 numMergedOcc 0
34 mol 276 unq 1 iso 0 dist 6.24808 8.74282 5.41235 9.97709 12.1499 13.3582 numMergedOcc 0
35 mol 278 unq 0 iso 0 dist 9.58494 8.71212 7.66477 6.01365 11.0149 6.15148 numMergedOcc 0
36 mol 278 unq 1 iso 0 dist 9.58494 8.60481 9.96924 6.01365 11.0149 10.5492 numMergedOcc 0
37 mol 287 unq 0 iso 0 dist 9.22576 9.52718 4.9628 8.08382 6.68639 5.39801 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 9.22576 9.52718 4.9628 8.08382 6.68639 5.39801 numMergedOcc 0
39 mol 289 unq 0 iso 0 dist 9.22576 9.52718 4.9628 8.08382 6.68639 5.39801 numMergedOcc 0
