0 mol 46 unq 0 iso 0 dist 9.7807 8.78474 7.57955 10.1207 14.6959 8.16059 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 7.24056 8.24314 5.73909 6.02415 10.8111 8.16059 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.2932 7.42848 4.94741 10.6473 8.34361 6.10175 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 7.43344 9.97867 12.3008 4.5316 9.90174 8.06263 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 7.17386 8.1307 9.16536 5.5056 11.0618 8.28948 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 4.4004 9.24258 6.68239 6.99583 7.46875 5.50364 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 4.4004 9.55246 7.74794 6.99583 7.46875 8.7301 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 5.60304 8.64606 12.2185 7.83675 12.1254 4.95086 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 5.60304 8.64606 12.2185 14.9083 19.7425 8.39524 numMergedOcc 0
9 mol 176 unq 0 iso 0 dist 9.81785 8.36552 7.48392 10.3157 10.6184 7.02608 numMergedOcc 0
10 mol 180 unq 0 iso 0 dist 9.96844 8.78619 16.5901 4.20949 11.795 8.86377 numMergedOcc 0
11 mol 183 unq 0 iso 0 dist 5.67626 9.84306 15.3359 19.3099 24.9025 9.81282 numMergedOcc 0
12 mol 183 unq 1 iso 0 dist 9.15129 9.84306 16.0056 19.3099 23.6099 9.81282 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 7.60389 9.09931 12.4341 10.921 17.3985 8.40343 numMergedOcc 0
14 mol 211 unq 0 iso 0 dist 9.53956 7.79873 7.9703 5.6174 9.76309 7.15386 numMergedOcc 0
15 mol 211 unq 1 iso 0 dist 9.53956 7.79873 7.9703 4.00712 6.42375 7.73993 numMergedOcc 0
16 mol 211 unq 2 iso 0 dist 9.53956 7.79873 7.9703 10.088 10.4495 9.45365 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 8.96087 7.50445 4.63862 5.40449 11.6731 8.8978 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 5.19666 8.10271 4.90213 5.68798 4.88541 6.35457 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 5.19666 6.1277 9.06715 5.83215 10.3321 9.27042 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 5.19666 8.51204 12.7662 5.83215 10.3321 9.88818 numMergedOcc 0
