0 mol 37 unq 0 iso 0 dist 7.7568 6.69711 9.08524 5.49728 5.98359 9.98549 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.85573 9.4798 11.6488 10.1746 9.53901 18.4166 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 6.34078 6.94351 5.29167 4.97125 9.35329 11.667 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.80207 9.53176 10.3464 7.11496 9.50176 15.1313 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 9.06225 6.57826 7.43853 13.42 7.71596 11.3404 numMergedOcc 0
5 mol 86 unq 0 iso 0 dist 8.43093 6.94997 5.04401 4.2645 8.63569 8.24791 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.4046 6.98838 6.64721 7.17073 6.41105 9.0321 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.93688 7.57958 5.02124 13.3114 4.85152 6.58062 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 5.33644 4.74654 5.17028 5.36117 8.23566 8.86001 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 6.81489 8.0578 9.30367 5.76817 5.24519 11.7168 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.63488 6.73897 9.84339 7.55155 6.89564 11.8716 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.31907 8.9344 6.8965 10.3667 6.89564 12.9246 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 5.82034 9.8769 4.96701 6.97601 4.95086 9.40832 numMergedOcc 0
13 mol 147 unq 1 iso 0 dist 5.82034 9.8769 4.96701 4.59451 8.39524 12.1653 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.13872 8.45395 9.80135 7.56512 8.03259 9.30874 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 6.13872 5.41368 4.97806 7.56512 8.03259 5.54873 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 9.92635 7.42108 16.8061 15.7519 9.81282 20.7391 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 9.71223 9.08641 14.6658 13.4102 8.09373 20.9003 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 6.2441 8.27907 11.0649 6.7488 5.98076 13.6078 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 9.52151 7.15624 10.277 6.28221 7.98941 9.69976 numMergedOcc 0
20 mol 226 unq 0 iso 0 dist 8.10096 9.31669 6.05562 12.8829 9.05082 13.6042 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.68803 5.66792 7.4709 4.53635 8.01565 6.31114 numMergedOcc 0
22 mol 243 unq 0 iso 0 dist 8.28364 7.77265 6.88405 9.10714 9.60437 14.096 numMergedOcc 0
23 mol 243 unq 1 iso 0 dist 8.28364 9.65322 12.946 9.10714 9.60437 18.3513 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 7.97113 8.46351 11.1732 9.69102 9.2772 13.6233 numMergedOcc 0
25 mol 269 unq 0 iso 0 dist 7.97206 9.92223 7.20409 12.5683 9.91093 16.5332 numMergedOcc 0
26 mol 269 unq 1 iso 0 dist 7.97206 5.98602 4.52168 12.5683 9.91093 13.3316 numMergedOcc 0
27 mol 269 unq 2 iso 0 dist 7.1068 9.78238 4.52168 10.2496 9.91093 13.3316 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 8.26851 8.62431 4.05661 8.77987 7.24089 9.89613 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 8.26851 8.62431 4.05661 10.518 9.29005 13.0653 numMergedOcc 0
30 mol 274 unq 2 iso 0 dist 8.14634 8.62431 7.47324 10.518 8.16746 13.0653 numMergedOcc 0
