0 mol 29 unq 0 iso 0 dist 7.72546 5.31844 9.12482 9.37221 6.31736 6.73481 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.78474 3.89419 8.55031 11.7408 13.8587 9.31292 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 8.24314 10.1729 8.55031 18.6399 13.8587 9.31292 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 8.29525 8.65165 9.81273 13.6645 15.288 6.36357 numMergedOcc 0
4 mol 103 unq 1 iso 0 dist 7.5724 8.65165 6.67575 13.6645 8.47667 6.36357 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 9.23907 9.27464 5.46716 11.0705 4.81215 9.46039 numMergedOcc 0
6 mol 183 unq 0 iso 0 dist 6.5372 6.29417 9.86506 10.1163 15.1826 8.72128 numMergedOcc 0
7 mol 183 unq 1 iso 0 dist 6.44683 10.1111 9.86506 15.4302 15.1826 8.72128 numMergedOcc 0
8 mol 183 unq 2 iso 0 dist 9.84306 9.24396 9.92635 10.1163 6.08414 9.15795 numMergedOcc 0
9 mol 183 unq 3 iso 0 dist 9.84306 6.29417 7.85507 10.1163 6.08414 8.72128 numMergedOcc 0
10 mol 185 unq 0 iso 0 dist 8.93886 4.85027 5.40655 11.3108 4.81985 7.64068 numMergedOcc 0
11 mol 199 unq 0 iso 0 dist 7.28311 4.91787 8.22146 9.59224 6.83716 9.86694 numMergedOcc 0
12 mol 199 unq 1 iso 0 dist 6.33787 4.91787 7.16849 9.59224 5.88171 9.86694 numMergedOcc 0
13 mol 244 unq 0 iso 0 dist 8.5122 5.92707 9.91271 10.7669 6.33602 9.53211 numMergedOcc 0
14 mol 244 unq 1 iso 0 dist 8.5122 5.92707 9.91271 8.36032 16.7499 9.57082 numMergedOcc 0
15 mol 250 unq 0 iso 0 dist 9.61711 5.34692 8.62074 8.07416 4.69451 5.43868 numMergedOcc 0
16 mol 250 unq 1 iso 0 dist 9.61711 5.34692 8.62074 12.2998 10.5803 7.02096 numMergedOcc 0
17 mol 250 unq 2 iso 0 dist 9.61711 5.34692 8.62074 11.4597 10.0219 9.80833 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.10271 10.604 9.33447 12.4624 5.69904 9.36806 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 8.10271 5.75486 3.90274 12.4624 5.69904 7.51446 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 6.1277 5.75486 7.49024 12.4624 11.0588 7.51446 numMergedOcc 0
