0 mol 10 unq 0 iso 0 dist 8.50323 5.37078 9.94087 8.97985 3.96253 9.25299 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 7.54056 4.55207 8.2071 10.5107 8.79917 6.79537 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.62106 14.7204 8.2071 14.8307 8.79917 6.79537 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 8.03881 4.69936 9.88728 9.3808 9.70611 6.35506 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 4.44406 11.3388 7.32236 7.86479 4.03744 6.57633 numMergedOcc 0
5 mol 53 unq 0 iso 0 dist 8.68377 4.27712 6.05264 9.09112 3.9531 5.63499 numMergedOcc 0
6 mol 53 unq 1 iso 0 dist 6.63089 6.44336 6.05264 8.47263 3.9531 5.63499 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 4.58432 13.0972 9.17101 8.01368 3.90634 7.94976 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 9.86323 11.624 7.67418 9.31829 3.29432 9.45909 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 9.74975 5.46954 8.05235 7.09239 4.03 7.50455 numMergedOcc 0
10 mol 210 unq 0 iso 0 dist 8.34886 12.7923 6.93215 11.7297 3.61565 7.80421 numMergedOcc 0
11 mol 210 unq 1 iso 0 dist 8.34886 12.7923 6.93215 19.3743 12.0662 9.71107 numMergedOcc 0
12 mol 210 unq 2 iso 0 dist 8.34886 12.7923 6.93215 21.1292 13.912 9.7449 numMergedOcc 0
13 mol 230 unq 0 iso 0 dist 7.02381 4.55691 7.668 10.4315 8.28207 6.75627 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 8.00415 7.24465 7.87797 6.58055 5.65659 6.93465 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 8.90491 4.15537 8.82519 11.1012 6.24409 8.49945 numMergedOcc 0
16 mol 279 unq 1 iso 0 dist 8.90491 4.15537 8.82519 10.2721 8.66313 9.68415 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 6.93453 5.43209 5.62135 11.6749 6.3041 8.66659 numMergedOcc 0
18 mol 282 unq 1 iso 0 dist 7.43826 5.43209 8.68131 11.6749 9.30868 8.66659 numMergedOcc 0
