0 mol 7 unq 0 iso 0 dist 7.15434 7.29541 5.72491 10.7937 8.72114 10.1959 8.75346 9.67164 8.0744 5.5683 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.16444 6.84888 7.05346 5.86578 7.32257 8.88528 6.92407 8.30653 4.3947 10.6575 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 12.1567 6.72502 13.4836 8.60554 6.99746 12.0268 8.09311 9.94429 15.4445 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.20058 12.1567 6.72502 13.4836 8.60554 6.99746 9.10781 9.05357 6.88355 11.8971 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.20058 12.1567 6.72502 11.9824 8.44664 7.6844 12.0268 8.09311 9.94429 3.84336 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.20058 12.1567 6.72502 11.9824 8.44664 7.6844 9.10781 9.05357 6.88355 7.01276 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 8.20058 12.1567 6.72502 9.04355 9.44691 7.05541 12.0268 8.09311 9.94429 13.0295 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 8.20058 12.1567 6.72502 9.04355 9.44691 7.05541 9.10781 9.05357 6.88355 4.02219 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 6.23095 6.06832 5.81959 12.1434 8.6653 6.61233 11.9503 7.6114 11.4877 10.8122 numMergedOcc 0
9 mol 56 unq 0 iso 0 dist 8.96238 6.5705 6.77886 4.936 7.16773 8.25666 12.9131 9.03564 10.5332 9.76482 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 8.92577 9.57933 9.00544 5.48646 7.38135 5.46256 10.5559 7.82475 11.3766 7.55779 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 8.92577 9.57933 9.00544 5.48646 7.38135 5.46256 11.1947 5.35782 10.5056 8.00947 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 8.92577 7.04774 7.12017 5.48646 7.38135 9.38256 10.5559 7.82475 13.4027 7.55779 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 8.92577 7.04774 7.12017 5.48646 7.38135 9.38256 11.1947 5.35782 12.068 8.00947 numMergedOcc 0
14 mol 100 unq 4 iso 0 dist 9.56324 6.95888 9.00544 11.0196 7.38135 5.46256 15.353 7.82475 11.3766 7.55779 numMergedOcc 0
15 mol 100 unq 5 iso 0 dist 9.56324 6.95888 9.00544 11.0196 7.38135 5.46256 12.9628 5.35782 10.5056 8.00947 numMergedOcc 0
16 mol 100 unq 6 iso 0 dist 9.56324 10.3606 7.12017 11.0196 7.38135 9.38256 15.353 7.82475 13.4027 7.55779 numMergedOcc 0
17 mol 100 unq 7 iso 0 dist 9.56324 10.3606 7.12017 11.0196 7.38135 9.38256 12.9628 5.35782 12.068 8.00947 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.84523 9.01694 5.34214 10.8869 7.80523 10.8469 10.5361 7.07971 6.8409 5.92927 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 8.62648 8.9683 8.56342 9.25614 6.52773 6.96805 12.6962 7.64052 6.29394 5.37917 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 8.62648 8.9683 8.56342 5.53673 9.23858 13.3975 12.6962 7.64052 6.29394 15.7711 numMergedOcc 0
21 mol 119 unq 2 iso 0 dist 8.62648 5.50673 6.37542 9.25614 6.52773 4.86811 12.6962 7.64052 9.64502 5.37917 numMergedOcc 0
22 mol 119 unq 3 iso 0 dist 8.62648 5.50673 6.37542 5.53673 9.23858 8.00229 12.6962 7.64052 9.64502 15.7711 numMergedOcc 0
23 mol 159 unq 0 iso 0 dist 7.47975 9.78249 7.25742 4.02361 9.17787 10.3427 7.21999 9.36259 5.34453 7.91903 numMergedOcc 0
24 mol 159 unq 1 iso 0 dist 7.47975 9.78249 7.25742 9.90351 8.4858 7.97232 7.21999 9.36259 5.34453 9.65034 numMergedOcc 0
25 mol 195 unq 0 iso 0 dist 8.3705 9.80071 7.62942 11.3703 9.26504 6.0634 4.29894 9.03441 8.89297 8.29668 numMergedOcc 0
26 mol 232 unq 0 iso 0 dist 9.95045 16.7146 7.83711 4.95971 9.05071 13.8622 13.3209 6.71524 8.03712 11.2243 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 9.38753 8.09178 5.52379 6.77421 7.10685 5.83386 11.5133 9.07475 6.50998 5.37176 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.38753 8.09178 5.52379 6.77421 7.10685 5.83386 12.2802 6.99888 5.63944 6.65214 numMergedOcc 0
