0 mol 18 unq 0 iso 0 dist 8.38998 9.92632 11.5415 7.30231 10.1811 15.04 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.26742 7.03345 15.4162 8.69224 8.97662 13.502 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.26742 5.2296 12.1495 8.69224 8.97662 13.3758 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 9.42943 8.84033 10.7898 9.56672 8.02446 3.92866 numMergedOcc 0
4 mol 29 unq 1 iso 0 dist 9.42943 8.84033 10.7898 8.00338 11.4567 9.09595 numMergedOcc 0
5 mol 29 unq 2 iso 0 dist 9.42943 8.46734 4.45927 9.56672 8.02446 8.78564 numMergedOcc 0
6 mol 29 unq 3 iso 0 dist 9.42943 8.46734 4.45927 8.00338 11.4567 8.36994 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.27853 9.41551 4.95812 9.80453 7.84827 5.81633 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.90417 9.05293 9.59932 9.94133 4.96316 8.46282 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.01128 7.40481 7.89992 5.61418 4.05759 8.734 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 5.58941 8.70947 4.84084 9.26699 9.58969 12.7384 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 8.2592 7.4713 9.49268 7.91691 11.5904 3.95522 numMergedOcc 0
12 mol 103 unq 1 iso 0 dist 8.2592 8.91952 5.73608 7.91691 11.5904 12.8265 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 9.51379 5.92115 10.5953 5.5917 8.17376 4.39633 numMergedOcc 0
14 mol 129 unq 1 iso 0 dist 9.51379 5.92115 10.5953 5.24806 6.47582 4.13875 numMergedOcc 0
15 mol 136 unq 0 iso 0 dist 9.73117 7.827 7.92003 6.99374 4.91049 4.55722 numMergedOcc 0
16 mol 136 unq 1 iso 0 dist 8.52183 7.827 8.79603 6.99374 6.00387 4.55722 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 5.67578 8.99568 8.74561 5.55632 4.8443 4.75232 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 6.61361 9.89918 7.6349 7.39043 10.6705 7.72132 numMergedOcc 0
19 mol 249 unq 0 iso 0 dist 7.34573 6.88579 12.8692 5.3865 10.5184 4.49386 numMergedOcc 0
20 mol 249 unq 1 iso 0 dist 7.34573 7.30848 8.77577 5.3865 10.5184 5.33399 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 9.19372 8.78904 8.84238 4.15692 8.56684 4.86591 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 7.246 8.67835 11.3568 7.22473 11.4881 9.45061 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 7.246 8.67835 11.3568 6.02628 9.7119 13.0341 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.62474 4.98594 9.89221 7.51951 10.1478 3.90822 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 8.01441 4.98594 6.87665 7.51951 8.68515 3.90822 numMergedOcc 0
