0 mol 43 unq 0 iso 0 dist 8.34858 5.71662 7.53564 12.4032 7.90905 8.58709 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.67161 7.79829 8.34632 14.9794 9.40104 9.3239 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 8.67161 6.19827 5.62629 8.87902 5.90603 6.15118 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.87902 6.19827 6.15118 8.67161 5.90603 5.62629 numMergedOcc 0
4 mol 86 unq 0 iso 0 dist 8.42383 5.69521 6.7293 11.747 5.19555 9.29934 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.53179 5.50566 3.59451 11.5192 5.4823 6.2491 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 6.54706 7.25495 5.1557 15.4113 10.9934 9.5355 numMergedOcc 0
7 mol 142 unq 1 iso 0 dist 4.56239 5.20379 5.1557 11.5686 10.9934 9.5355 numMergedOcc 0
8 mol 142 unq 2 iso 0 dist 5.49328 11.3375 9.5355 14.5419 10.9934 5.1557 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 5.56994 6.02972 8.34508 12.0833 14.2743 6.67598 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 7.54031 11.0704 7.96759 18.9405 14.7376 8.94384 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 6.35905 8.25829 7.96759 13.8431 14.7376 8.94384 numMergedOcc 0
12 mol 220 unq 2 iso 0 dist 9.95731 15.3908 8.75468 19.4798 9.83283 7.80496 numMergedOcc 0
13 mol 220 unq 3 iso 0 dist 9.95731 15.3908 8.75468 12.6004 7.23892 8.60479 numMergedOcc 0
14 mol 230 unq 0 iso 0 dist 9.17246 9.99215 9.27643 14.1578 10.6003 5.00735 numMergedOcc 0
15 mol 260 unq 0 iso 0 dist 8.69185 15.5171 8.3298 12.5639 10.3809 9.05149 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 6.89781 11.0263 9.96645 13.4106 7.90361 9.2447 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 6.89781 13.0361 9.29005 12.2957 7.42692 7.24089 numMergedOcc 0
18 mol 279 unq 0 iso 0 dist 7.47768 5.86409 8.76889 9.9446 6.55493 7.04397 numMergedOcc 0
19 mol 279 unq 1 iso 0 dist 9.9446 5.86409 7.04397 7.47768 6.55493 8.76889 numMergedOcc 0
20 mol 281 unq 0 iso 0 dist 9.70995 10.1358 9.61122 10.1463 4.37277 9.95684 numMergedOcc 0
