0 mol 0 unq 0 iso 0 dist 8.38106 11.108 5.55156 14.8132 6.82018 9.5614 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.70193 4.4975 5.55156 10.2201 6.82018 9.5614 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 8.67981 7.97369 6.66589 14.676 6.21697 9.80478 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.34804 16.4344 8.64208 16.5954 8.8254 6.99398 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.7307 6.94239 5.57389 10.3563 7.08944 6.87176 numMergedOcc 0
5 mol 87 unq 0 iso 0 dist 6.97882 11.2491 9.1329 9.4868 5.38943 5.26938 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 6.97882 11.2491 9.1329 15.7638 11.9011 6.8014 numMergedOcc 0
7 mol 87 unq 2 iso 0 dist 6.97882 12.8734 9.03114 9.4868 5.38943 8.91602 numMergedOcc 0
8 mol 87 unq 3 iso 0 dist 9.4868 11.2491 5.26938 6.97882 5.38943 9.1329 numMergedOcc 0
9 mol 87 unq 4 iso 0 dist 9.4868 11.2491 5.26938 15.7638 6.69898 6.8014 numMergedOcc 0
10 mol 87 unq 5 iso 0 dist 9.4868 12.8734 8.91602 6.97882 5.38943 9.03114 numMergedOcc 0
11 mol 87 unq 6 iso 0 dist 7.7858 11.2195 9.1329 10.847 5.38943 5.26938 numMergedOcc 0
12 mol 87 unq 7 iso 0 dist 7.7858 11.2195 9.1329 15.8836 11.9011 6.8014 numMergedOcc 0
13 mol 87 unq 8 iso 0 dist 7.7858 5.66355 9.03114 10.847 5.38943 8.91602 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 8.58317 4.70935 7.73139 10.7936 8.63406 6.66607 numMergedOcc 0
15 mol 127 unq 1 iso 0 dist 8.58317 4.70935 7.73139 5.52891 6.87199 8.62711 numMergedOcc 0
16 mol 127 unq 2 iso 0 dist 5.52891 4.70935 8.62711 8.58317 6.87199 7.73139 numMergedOcc 0
17 mol 127 unq 3 iso 0 dist 5.52891 4.70935 8.62711 10.7936 12.663 6.66607 numMergedOcc 0
18 mol 132 unq 0 iso 0 dist 9.00166 4.90475 6.2403 7.16287 11.8902 6.495 numMergedOcc 0
19 mol 132 unq 1 iso 0 dist 9.00166 6.34266 8.34869 7.16287 11.8902 9.43748 numMergedOcc 0
20 mol 132 unq 2 iso 0 dist 7.16287 4.90475 6.495 9.00166 11.8902 6.2403 numMergedOcc 0
21 mol 132 unq 3 iso 0 dist 7.16287 6.34266 9.43748 9.00166 11.8902 8.34869 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 9.46039 5.80488 9.18691 12.1128 7.57667 8.90592 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 9.60268 6.51864 8.8573 13.3612 6.11195 9.35182 numMergedOcc 0
24 mol 168 unq 1 iso 0 dist 8.79954 5.14137 8.8573 11.9617 6.11195 9.35182 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 5.33103 3.84723 6.53736 9.01301 7.38798 8.18851 numMergedOcc 0
26 mol 210 unq 1 iso 0 dist 9.01301 3.84723 8.18851 5.33103 7.38798 6.53736 numMergedOcc 0
27 mol 219 unq 0 iso 0 dist 8.55971 5.0241 9.68515 7.26376 10.4254 8.09769 numMergedOcc 0
28 mol 219 unq 1 iso 0 dist 8.55971 5.0241 9.68515 11.2519 11.7281 6.75833 numMergedOcc 0
29 mol 219 unq 2 iso 0 dist 7.26376 5.0241 8.09769 8.55971 10.4254 9.68515 numMergedOcc 0
30 mol 219 unq 3 iso 0 dist 7.26376 5.0241 8.09769 11.2519 10.676 6.75833 numMergedOcc 0
31 mol 220 unq 0 iso 0 dist 8.55805 15.5892 7.30244 10.9802 6.99846 9.58343 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 9.17911 17.1229 8.81059 14.4126 7.64421 7.9357 numMergedOcc 0
33 mol 258 unq 1 iso 0 dist 9.17911 15.539 9.12006 22.9841 16.5108 9.47519 numMergedOcc 0
34 mol 258 unq 2 iso 0 dist 9.17911 15.539 9.12006 14.4126 7.64421 5.79537 numMergedOcc 0
35 mol 258 unq 3 iso 0 dist 9.52903 7.52881 8.81059 12.3615 7.64421 7.9357 numMergedOcc 0
36 mol 258 unq 4 iso 0 dist 9.52903 12.3042 9.12006 18.0375 16.5108 9.47519 numMergedOcc 0
37 mol 258 unq 5 iso 0 dist 9.52903 12.3042 9.12006 12.3615 7.64421 5.79537 numMergedOcc 0
38 mol 272 unq 0 iso 0 dist 7.38085 5.26991 8.82094 11.6897 11.3373 9.80332 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 9.56601 7.84864 6.47376 6.70261 6.22487 9.6147 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 6.70261 7.84864 9.6147 9.56601 6.22487 6.47376 numMergedOcc 0
41 mol 284 unq 0 iso 0 dist 8.77418 4.45344 7.35866 11.5194 8.53089 7.2795 numMergedOcc 0
42 mol 284 unq 1 iso 0 dist 8.77418 5.88217 7.32482 11.5194 8.53089 9.41428 numMergedOcc 0
43 mol 284 unq 2 iso 0 dist 8.77418 5.88217 7.32482 13.3357 9.79667 8.08993 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 6.90956 5.25853 7.30618 11.4889 8.53973 9.22306 numMergedOcc 0
45 mol 287 unq 1 iso 0 dist 7.47179 11.3154 7.13655 10.6184 5.69849 8.98486 numMergedOcc 0
46 mol 287 unq 2 iso 0 dist 7.47179 11.3154 7.13655 13.9075 6.44062 8.70152 numMergedOcc 0
47 mol 288 unq 0 iso 0 dist 6.90956 5.25853 7.30618 11.4889 8.53973 9.22306 numMergedOcc 0
48 mol 288 unq 1 iso 0 dist 7.47179 11.3154 7.13655 10.6184 5.69849 8.98486 numMergedOcc 0
49 mol 288 unq 2 iso 0 dist 7.47179 11.3154 7.13655 13.9075 6.44062 8.70152 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 6.90956 5.25853 7.30618 11.4889 8.53973 9.22306 numMergedOcc 0
51 mol 289 unq 1 iso 0 dist 7.47179 11.3154 7.13655 10.6184 5.69849 8.98486 numMergedOcc 0
52 mol 289 unq 2 iso 0 dist 7.47179 11.3154 7.13655 13.9075 6.44062 8.70152 numMergedOcc 0
