0 mol 4 unq 0 iso 0 dist 8.85328 15.8479 9.31104 15.4662 7.35416 5.5797 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.85328 15.8479 9.31104 6.47885 6.42755 9.88817 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.17764 10.7009 6.04832 5.1316 6.14469 5.82034 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 6.29581 10.6768 6.70097 6.92643 5.86181 10.3521 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 6.29581 10.6768 6.70097 12.586 6.3253 8.19819 numMergedOcc 0
5 mol 20 unq 2 iso 0 dist 6.29581 10.6768 6.70097 9.82353 5.80568 6.11738 numMergedOcc 0
6 mol 20 unq 3 iso 0 dist 5.21143 5.32175 6.70097 7.05618 5.86181 10.3521 numMergedOcc 0
7 mol 20 unq 4 iso 0 dist 5.21143 5.32175 6.70097 10.3161 6.3253 8.19819 numMergedOcc 0
8 mol 20 unq 5 iso 0 dist 5.21143 5.32175 6.70097 5.82005 5.80568 6.11738 numMergedOcc 0
9 mol 21 unq 0 iso 0 dist 8.90496 11.9989 6.61889 10.0083 8.60289 5.1525 numMergedOcc 0
10 mol 46 unq 0 iso 0 dist 8.12513 12.4586 8.84113 5.62202 8.0543 8.9569 numMergedOcc 0
11 mol 46 unq 1 iso 0 dist 6.9762 7.71081 8.84113 10.5748 8.0543 8.9569 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 5.20528 5.6682 9.35279 12.9555 9.66222 18.1901 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 6.15011 14.0484 9.81484 8.51558 6.77241 6.60364 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 6.14674 14.8482 9.81484 10.0075 6.77241 6.60364 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 9.58313 9.18537 5.74152 7.76066 5.75014 4.71426 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.01017 9.89433 8.91675 5.06341 7.32087 10.0785 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.54437 6.54545 8.91675 14.4514 7.32087 10.0785 numMergedOcc 0
18 mol 226 unq 0 iso 0 dist 7.71605 6.15538 8.73772 5.424 5.70795 6.20334 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 6.74022 5.04646 5.0002 8.85159 6.88827 4.67674 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 6.74022 5.04646 5.0002 9.16187 9.16942 11.1431 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 8.25538 10.7526 5.38333 7.64544 6.95912 4.84387 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 8.25538 10.7526 5.38333 7.64544 6.95912 4.84387 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.25538 10.7526 5.38333 7.64544 6.95912 4.84387 numMergedOcc 0
