0 mol 61 unq 0 iso 0 dist 5.97418 6.96665 12.1181 9.33927 9.12873 14.7879 9.43734 7.93498 15.8485 3.30756 numMergedOcc 0
1 mol 95 unq 0 iso 0 dist 9.07757 6.65315 5.26193 10.1228 9.47394 10.6216 8.02524 7.27275 9.51981 5.00693 numMergedOcc 0
2 mol 123 unq 0 iso 0 dist 7.63425 8.24275 7.32307 6.12041 7.99359 9.07289 9.67707 8.40918 13.9368 7.21006 numMergedOcc 0
3 mol 131 unq 0 iso 0 dist 8.95717 8.78173 4.43386 7.19035 8.89564 11.716 4.51272 7.75833 9.24546 5.906 numMergedOcc 0
4 mol 136 unq 0 iso 0 dist 8.06032 6.60605 8.63299 7.19078 5.00698 9.46264 6.13696 9.71312 8.98184 11.5769 numMergedOcc 0
5 mol 184 unq 0 iso 0 dist 9.0757 5.87728 12.848 10.3615 8.11014 11.6608 13.3585 8.5544 17.4084 8.24104 numMergedOcc 0
6 mol 184 unq 1 iso 0 dist 9.0757 6.71538 6.36605 10.3615 8.11014 10.5135 13.3585 8.5544 14.1681 8.24104 numMergedOcc 0
7 mol 184 unq 2 iso 0 dist 9.0757 8.58856 8.2618 10.3615 8.11014 4.54491 13.3585 8.5544 11.9767 8.24104 numMergedOcc 0
8 mol 184 unq 3 iso 0 dist 7.51045 6.76009 8.2618 4.96558 8.11014 4.54491 9.09295 8.5544 11.9767 8.24104 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.3369 9.76751 11.4333 4.7869 6.97502 12.6981 5.77393 9.26192 12.9977 3.88406 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 9.3369 9.76751 11.4333 16.4963 8.8078 20.0992 5.77393 9.26192 12.9977 15.2302 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 7.19924 9.03093 10.9858 9.3643 6.17408 15.7903 12.6063 8.99104 18.2932 3.65952 numMergedOcc 0
12 mol 239 unq 1 iso 0 dist 7.19924 9.03093 10.9858 9.47569 6.17602 16.4118 12.6063 8.99104 18.2932 7.05149 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 9.11602 7.59237 11.6431 9.45859 7.64715 15.6562 4.73745 9.77996 11.4664 8.64531 numMergedOcc 0
14 mol 287 unq 1 iso 0 dist 9.11602 7.59237 11.6431 9.45859 7.64715 15.6562 4.16431 6.61308 10.6934 5.37977 numMergedOcc 0
15 mol 287 unq 2 iso 0 dist 9.11602 7.59237 11.6431 9.45859 7.64715 15.6562 10.3443 6.25845 14.6694 4.53368 numMergedOcc 0
16 mol 287 unq 3 iso 0 dist 9.11602 7.59237 11.6431 14.2612 8.50508 18.4968 4.73745 9.77996 11.4664 14.5036 numMergedOcc 0
17 mol 287 unq 4 iso 0 dist 9.11602 7.59237 11.6431 14.2612 8.50508 18.4968 4.16431 6.61308 10.6934 10.4837 numMergedOcc 0
18 mol 287 unq 5 iso 0 dist 9.11602 7.59237 11.6431 14.2612 8.50508 18.4968 10.3443 6.25845 14.6694 4.12505 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 9.11602 7.59237 11.6431 9.45859 7.64715 15.6562 4.73745 9.77996 11.4664 8.64531 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 9.11602 7.59237 11.6431 9.45859 7.64715 15.6562 4.16431 6.61308 10.6934 5.37977 numMergedOcc 0
21 mol 288 unq 2 iso 0 dist 9.11602 7.59237 11.6431 9.45859 7.64715 15.6562 10.3443 6.25845 14.6694 4.53368 numMergedOcc 0
22 mol 288 unq 3 iso 0 dist 9.11602 7.59237 11.6431 14.2612 8.50508 18.4968 4.73745 9.77996 11.4664 14.5036 numMergedOcc 0
23 mol 288 unq 4 iso 0 dist 9.11602 7.59237 11.6431 14.2612 8.50508 18.4968 4.16431 6.61308 10.6934 10.4837 numMergedOcc 0
24 mol 288 unq 5 iso 0 dist 9.11602 7.59237 11.6431 14.2612 8.50508 18.4968 10.3443 6.25845 14.6694 4.12505 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 9.11602 7.59237 11.6431 9.45859 7.64715 15.6562 4.73745 9.77996 11.4664 8.64531 numMergedOcc 0
26 mol 289 unq 1 iso 0 dist 9.11602 7.59237 11.6431 9.45859 7.64715 15.6562 4.16431 6.61308 10.6934 5.37977 numMergedOcc 0
27 mol 289 unq 2 iso 0 dist 9.11602 7.59237 11.6431 9.45859 7.64715 15.6562 10.3443 6.25845 14.6694 4.53368 numMergedOcc 0
28 mol 289 unq 3 iso 0 dist 9.11602 7.59237 11.6431 14.2612 8.50508 18.4968 4.73745 9.77996 11.4664 14.5036 numMergedOcc 0
29 mol 289 unq 4 iso 0 dist 9.11602 7.59237 11.6431 14.2612 8.50508 18.4968 4.16431 6.61308 10.6934 10.4837 numMergedOcc 0
30 mol 289 unq 5 iso 0 dist 9.11602 7.59237 11.6431 14.2612 8.50508 18.4968 10.3443 6.25845 14.6694 4.12505 numMergedOcc 0
