0 mol 7 unq 0 iso 0 dist 7.15434 10.7937 8.72114 8.75346 9.67164 5.5683 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.4754 5.3298 7.18019 4.67793 9.01112 4.1204 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.57999 7.97177 7.18019 11.5556 9.01112 4.1204 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 7.3795 5.3298 8.44009 4.67793 7.62333 4.1204 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.16444 5.86578 7.32257 6.92407 8.30653 10.6575 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.20058 13.4836 8.60554 12.0268 8.09311 15.4445 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.20058 13.4836 8.60554 9.10781 9.05357 11.8971 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.20058 11.9824 8.44664 12.0268 8.09311 3.84336 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.20058 11.9824 8.44664 9.10781 9.05357 7.01276 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.20058 9.04355 9.44691 12.0268 8.09311 13.0295 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.20058 9.04355 9.44691 9.10781 9.05357 4.02219 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 6.23095 12.1434 8.6653 11.9503 7.6114 10.8122 numMergedOcc 0
12 mol 30 unq 0 iso 0 dist 9.28932 5.2347 7.12365 6.01658 6.07517 4.98558 numMergedOcc 0
13 mol 30 unq 1 iso 0 dist 7.53042 5.9029 7.12365 8.34136 6.07517 4.98558 numMergedOcc 0
14 mol 30 unq 2 iso 0 dist 6.83481 5.2347 8.1284 6.01658 6.74179 4.98558 numMergedOcc 0
15 mol 56 unq 0 iso 0 dist 8.96238 4.936 7.16773 12.9131 9.03564 9.76482 numMergedOcc 0
16 mol 69 unq 0 iso 0 dist 7.62791 5.47666 9.97775 6.98976 6.9362 5.1678 numMergedOcc 0
17 mol 72 unq 0 iso 0 dist 6.68311 15.1138 9.27838 8.89611 7.12321 14.005 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 5.90776 5.47738 5.37007 5.30951 7.13008 6.26082 numMergedOcc 0
19 mol 100 unq 0 iso 0 dist 8.22596 6.21679 7.80975 12.9651 9.90751 15.0328 numMergedOcc 0
20 mol 100 unq 1 iso 0 dist 8.22596 6.21679 7.80975 13.0711 9.21662 12.48 numMergedOcc 0
21 mol 100 unq 2 iso 0 dist 8.92577 5.48646 7.38135 10.5559 7.82475 7.55779 numMergedOcc 0
22 mol 100 unq 3 iso 0 dist 8.92577 5.48646 7.38135 11.1947 5.35782 8.00947 numMergedOcc 0
23 mol 100 unq 4 iso 0 dist 9.56324 11.0196 7.38135 15.353 7.82475 7.55779 numMergedOcc 0
24 mol 100 unq 5 iso 0 dist 9.56324 11.0196 7.38135 12.9628 5.35782 8.00947 numMergedOcc 0
25 mol 109 unq 0 iso 0 dist 8.84523 10.8869 7.80523 10.5361 7.07971 5.92927 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 9.08014 10.3234 8.8822 9.3549 8.80934 7.1951 numMergedOcc 0
27 mol 113 unq 1 iso 0 dist 9.08014 9.4626 9.66219 9.3549 8.80934 3.84573 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 8.62648 9.25614 6.52773 12.6962 7.64052 5.37917 numMergedOcc 0
29 mol 119 unq 1 iso 0 dist 8.62648 5.53673 9.23858 12.6962 7.64052 15.7711 numMergedOcc 0
30 mol 133 unq 0 iso 0 dist 9.79004 13.2968 7.71248 5.37122 8.26547 8.88402 numMergedOcc 0
31 mol 159 unq 0 iso 0 dist 7.47975 4.02361 9.17787 7.21999 9.36259 7.91903 numMergedOcc 0
32 mol 159 unq 1 iso 0 dist 7.47975 9.90351 8.4858 7.21999 9.36259 9.65034 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 8.90247 6.56225 6.2479 11.9701 9.76212 6.39406 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 6.58792 6.56225 6.22122 11.9701 8.59874 6.39406 numMergedOcc 0
35 mol 195 unq 0 iso 0 dist 8.3705 11.3703 9.26504 4.29894 9.03441 8.29668 numMergedOcc 0
36 mol 213 unq 0 iso 0 dist 9.75141 10.9044 8.14332 4.53609 8.22569 6.60887 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 9.95045 4.95971 9.05071 13.3209 6.71524 11.2243 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 9.38753 6.77421 7.10685 11.5133 9.07475 5.37176 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 9.38753 6.77421 7.10685 12.2802 6.99888 6.65214 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 5.70546 4.99186 7.23721 6.39046 7.24366 4.05042 numMergedOcc 0
