0 mol 4 unq 0 iso 0 dist 8.67981 11.5212 6.12485 14.676 6.21697 6.86951 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 4.62913 4.60834 6.6051 7.44542 10.1259 8.15864 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 7.44542 4.60834 8.15864 4.62913 10.1259 6.6051 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 6.73481 9.50033 7.50258 12.0262 7.34641 5.36278 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.41842 10.1727 7.44828 15.6953 9.9897 8.74487 numMergedOcc 0
5 mol 34 unq 0 iso 0 dist 7.38663 5.18893 7.36738 12.2856 6.96922 8.98021 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.1662 3.86843 6.49343 11.6253 12.2413 9.78739 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 14.4837 10.6111 6.04303 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 8.34804 10.7182 8.27009 9.59265 6.9953 6.12267 numMergedOcc 0
9 mol 79 unq 0 iso 0 dist 8.01516 15.8477 8.64686 20.5433 12.6473 8.61089 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 6.97882 6.27329 5.62336 9.4868 5.38943 5.63748 numMergedOcc 0
11 mol 87 unq 1 iso 0 dist 9.4868 15.7737 9.90256 15.7638 6.69898 7.57471 numMergedOcc 0
12 mol 87 unq 2 iso 0 dist 9.4868 6.27329 5.63748 6.97882 5.38943 5.62336 numMergedOcc 0
13 mol 87 unq 3 iso 0 dist 7.7858 7.88443 5.62336 10.847 5.38943 5.63748 numMergedOcc 0
14 mol 103 unq 0 iso 0 dist 7.52954 6.38538 8.078 11.6041 6.73664 7.66418 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 9.34752 10.0813 5.2184 10.7186 4.76384 9.84762 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 8.41858 4.62337 5.2184 12.3363 4.76384 9.84762 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.96416 5.9683 5.79195 7.17051 12.1681 9.2759 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 9.96416 5.9683 5.79195 5.9962 9.34083 8.76088 numMergedOcc 0
19 mol 133 unq 2 iso 0 dist 7.17051 5.9683 9.2759 9.96416 12.1681 5.79195 numMergedOcc 0
20 mol 133 unq 3 iso 0 dist 7.17051 5.9683 9.2759 5.9962 11.2107 8.76088 numMergedOcc 0
21 mol 133 unq 4 iso 0 dist 5.9962 5.9683 8.76088 9.96416 9.34083 5.79195 numMergedOcc 0
22 mol 133 unq 5 iso 0 dist 5.9962 5.9683 8.76088 7.17051 11.2107 9.2759 numMergedOcc 0
23 mol 133 unq 6 iso 0 dist 8.61448 13.8877 8.76088 15.6986 9.34083 5.79195 numMergedOcc 0
24 mol 133 unq 7 iso 0 dist 8.61448 13.8877 8.76088 18.0226 11.2107 9.2759 numMergedOcc 0
25 mol 139 unq 0 iso 0 dist 5.77343 4.19005 8.78382 10.5546 9.781 9.70154 numMergedOcc 0
26 mol 168 unq 0 iso 0 dist 9.60268 9.78459 9.11481 13.3612 6.11195 7.41092 numMergedOcc 0
27 mol 168 unq 1 iso 0 dist 8.79954 9.70858 9.11481 11.9617 6.11195 7.41092 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 12.2846 8.63339 6.62514 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 8.40718 12.4189 6.20044 17.6118 11.09 9.41996 numMergedOcc 0
30 mol 211 unq 0 iso 0 dist 9.26542 9.86881 5.6998 14.7751 5.59365 8.10779 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 10.9802 6.99846 9.86144 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 8.20542 4.60599 8.63249 9.73914 15.386 7.74348 numMergedOcc 0
33 mol 236 unq 1 iso 0 dist 5.6568 4.24722 7.74348 12.2537 15.386 8.63249 numMergedOcc 0
34 mol 243 unq 0 iso 0 dist 7.93817 4.73439 7.70472 13.2923 10.9243 8.78924 numMergedOcc 0
35 mol 243 unq 1 iso 0 dist 7.93817 9.17097 9.16988 13.2923 10.9243 4.64178 numMergedOcc 0
36 mol 250 unq 0 iso 0 dist 5.43868 9.96947 8.51703 9.80833 6.53265 5.07895 numMergedOcc 0
37 mol 250 unq 1 iso 0 dist 9.80833 9.96947 5.07895 5.43868 6.53265 8.51703 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 9.17911 13.8539 7.25618 14.4126 7.64421 8.70193 numMergedOcc 0
39 mol 258 unq 1 iso 0 dist 9.52903 9.6053 7.25618 12.3615 7.64421 8.70193 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 9.33791 8.55958 8.8646 10.8595 6.70676 7.9555 numMergedOcc 0
41 mol 266 unq 1 iso 0 dist 9.36806 4.39397 9.39714 10.3592 13.1611 6.57444 numMergedOcc 0
42 mol 266 unq 2 iso 0 dist 7.51446 9.47559 9.39714 14.0391 13.1611 6.57444 numMergedOcc 0
43 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 16.5458 11.3688 6.66936 numMergedOcc 0
44 mol 283 unq 0 iso 0 dist 8.89292 4.02114 9.28067 8.43009 7.89565 5.71075 numMergedOcc 0
45 mol 283 unq 1 iso 0 dist 8.43009 4.02114 5.71075 8.89292 7.89565 9.28067 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 10.6184 5.69849 9.18785 numMergedOcc 0
47 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 10.6184 5.69849 9.18785 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 10.6184 5.69849 9.18785 numMergedOcc 0
49 mol 293 unq 0 iso 0 dist 7.67909 5.86662 7.41524 9.69 8.71249 4.72125 numMergedOcc 0
50 mol 293 unq 1 iso 0 dist 7.67909 5.86662 7.41524 6.83404 5.34794 6.42608 numMergedOcc 0
51 mol 293 unq 2 iso 0 dist 6.83404 5.86662 6.42608 9.69 6.3489 4.72125 numMergedOcc 0
52 mol 293 unq 3 iso 0 dist 6.83404 5.86662 6.42608 7.67909 5.34794 7.41524 numMergedOcc 0
53 mol 293 unq 4 iso 0 dist 6.04186 6.74585 4.72125 13.0622 8.71249 7.41524 numMergedOcc 0
54 mol 293 unq 5 iso 0 dist 6.04186 6.74585 4.72125 11.8289 6.3489 6.42608 numMergedOcc 0
